SCHEMBL2565795

SCHEMBL2565795

CCOC(=O)c1[nH]c(C)c(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
HPGD P15428 3/20 0.72
ALDH1A1 P00352 5/20 0.68
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPK1 P28482 4/20 0.60
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 1/20 0.57
XBP1 P17861 1/20 0.54
NPC1 O15118 1/20 0.53

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
SCHEMBL11652356 0.89 CYP1A2 (0.80) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL23204027 0.86 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL4205954 0.86 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL11644037 0.86 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL69310 0.84 HPGD (1.00) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL18722030 0.84 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL11279116 0.84 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL7046856 0.83 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL18125047 0.82 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL16504003 0.82 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107376989-B Cu-AEI molecular sieve catalyst synthesis and application 中触媒新材料股份有限公司 2021-01-05 CN claimed
CN-107376989-B Cu-AEI molecular sieve catalyst synthesis and application 中触媒新材料股份有限公司 2021-01-05 CN disclosed
US-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
EP-2382225-B1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GEN ELECTRIC (US) 2013-08-28 EP disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
EP-2382225-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES General Electric Company (US) 2011-11-02 EP disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
WO-2010074957-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-07-01 WO disclosed
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-06-24 US disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 US disclosed
US-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 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 (2 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-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES SCO2, C1S, C1R CYP1A2 987/4885CYP2C9 938/4885CYP2C19 883/4885
US-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 CYP1A2 301/4885CYP2C9 720/4885CYP2C19 842/4885

“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.