SCHEMBL9611267

SCHEMBL9611267

CC(C)(C)C(=O)NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
EPHX1 P07099 9/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
EPHX2 P34913 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CCR2 P41597 1/20 0.49
KMT2A Q03164 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9611268 0.98 PDK1 (0.63) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL23481547 0.98 PDK1 (0.63) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL12206764 0.95 ALDH1A1 (0.61) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL4087474 0.90 ALDH1A1 (0.60) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL21100016 0.90 ALDH1A1 (0.60) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL18654098 0.84 PDK1 (0.63) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL17690659 0.82 EPHX2 (0.58) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL11989611 0.82 PDK1 (0.56) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL23573489 0.82 ALDH1A1 (0.53) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL10202022 0.82 EPHX2 (0.58) ALDH1A1PDK1PDK2PDK3PDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877464-B2 Organic light emitting element LG CHEM, LTD. (KR) 2024-01-16 US disclosed
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern LG CHEM, LTD. (KR) 2023-12-05 US disclosed
US-20230329106-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230329106-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-11751473-B2 Organic light emitting element LG CHEM, LTD. (KR) 2023-09-05 US disclosed
US-11751473-B2 Organic light emitting element LG CHEM, LTD. (KR) 2023-09-05 US disclosed
US-11737354-B2 Organic light emitting device having a carbazole-based compound formed between a cathode and a light emitting layer and a spirobifluorene-monoamine-based compound formed between an anode and a light emitting layer LG CHEM, LTD. (KR) 2023-08-22 US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
US-11680040-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern LG CHEM, LTD. (KR) 2023-06-20 US disclosed
US-20230023648-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM PREPARED USING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD (KR) 2023-01-26 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230329106-A1 ORGANIC LIGHT EMITTING ELEMENT PPA1, PPOX, APRT ALDH1A1 1860/4885PDK1 2617/4885PDK2 3586/4885
US-11751473-B2 Organic light emitting element PPA1, PPOX, NR2E3 ALDH1A1 2389/4885PDK1 2955/4885PDK2 3751/4885
US-11680040-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern SETD7, PCBP1, PPOX ALDH1A1 2450/4885PDK1 4398/4885PDK2 977/4885
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern PPOX, SETD7, CRY1 ALDH1A1 997/4885PDK1 3853/4885PDK2 282/4885
US-11877464-B2 Organic light emitting element CACNA2D4, CYBA, L1CAM ALDH1A1 1028/4885PDK1 3438/4885PDK2 2604/4885
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885PDK1 1318/4885PDK2 1823/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885PDK1 1318/4885PDK2 1823/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP ALDH1A1 2696/4885PDK1 1044/4885PDK2 936/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885PDK1 1318/4885PDK2 1823/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885PDK1 1318/4885PDK2 1823/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885PDK1 1318/4885PDK2 1823/4885
US-11737354-B2 Organic light emitting device having a carbazole-based compound formed between a cathode and a light emitting layer and a spirobifluorene-monoamine-based compound formed between an anode and a light emitting layer DRD1, TPH1, DRD3 ALDH1A1 27/4885PDK1 1407/4885PDK2 358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.