SCHEMBL15922148

SCHEMBL15922148

CCc1ccc(OCOC)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 8/20 0.46
TP53 P04637 4/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 2/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4262497 0.86 ALDH1A1 (0.42) CYP1A2CYP2C19CYP2D6MAPTALDH1A1
SCHEMBL12044535 0.86 SLC6A4 (0.43) CYP1A2CYP2C19CYP2D6MAPTTP53
SCHEMBL27511679 0.84 MAPT (0.39) MAPTTP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL4255534 0.84 TTR (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3988251 0.84 ALDH1A1 (0.47) CYP1A2CYP2C19CYP2D6MAPTTP53
SCHEMBL10050063 0.83 ALDH1A1 (0.51) CYP1A2CYP2C19CYP2D6MAPTTP53
SCHEMBL8709359 0.83 MAPT (0.38) MAPTTP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL30983713 0.81 KDM4E (0.53) CYP1A2SMN1; SMN2KMT2ACYP3A4
SCHEMBL29210582 0.81 KDM4E (0.53) CYP1A2SMN1; SMN2KMT2ACYP3A4
SCHEMBL13573068 0.81 ALDH1A1 (0.37) CYP1A2CYP2C19CYP2D6MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902392-B Alkyne compound and harmful arthropod control composition containing same 住友化学株式会社 2023-03-31 CN disclosed
EP-3778551-B1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2023-03-15 EP disclosed
US-11490619-B2 Alkyne compound and arthropod pest control composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-11-08 US disclosed
EP-3865474-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2021-08-18 EP disclosed
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2021-08-05 US disclosed
EP-3736267-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
EP-3736270-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-27 US disclosed
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-20 US disclosed
EP-3778551-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-02-17 EP disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2951180-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-09 EP disclosed
WO-2014120748-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
WO-2014120748-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN disclosed
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 (5 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-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A CYP1A2 3726/4885CYP2C19 4232/4885CYP2D6 4416/4885
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A CYP1A2 3726/4885CYP2C19 4232/4885CYP2D6 4416/4885
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A CYP1A2 3726/4885CYP2C19 4232/4885CYP2D6 4416/4885
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 CYP1A2 2347/4885CYP2C19 4157/4885CYP2D6 2342/4885
US-11490619-B2 Alkyne compound and arthropod pest control composition containing same C5, C9, C3AR1 CYP1A2 121/4885CYP2C19 764/4885CYP2D6 999/4885

“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.