SCHEMBL976050

SCHEMBL976050

COc1ccc(C#N)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
AR P10275 4/20 0.46
PGR P06401 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL1119284 0.84 MEN1 (0.50) NPC1RAB9AALDH1A1CYP3A4TRIM24
SCHEMBL9560109 0.81 MAOB (0.57) NPC1RAB9AALDH1A1ARPGR
SCHEMBL910364 0.80 NPC1 (0.53) NPC1RAB9AALDH1A1CYP3A4TRIM24
SCHEMBL4252680 0.79 GLA (0.49) NPC1RAB9AALDH1A1HPGDMAPK1
SCHEMBL12116989 0.79 MAOB (0.43) NPC1RAB9AALDH1A1ARMAPT
SCHEMBL15201858 0.78 AR (0.47) NPC1RAB9AALDH1A1MAPK1AR
SCHEMBL509379 0.78 AR (0.50) NPC1RAB9AALDH1A1MAPK1AR
SCHEMBL30730992 0.78 ALDH1A1 (0.63) NPC1RAB9AALDH1A1ARPGR
SCHEMBL1762094 0.78 ALDH1A1 (0.63) NPC1RAB9AALDH1A1ARPGR
SCHEMBL1608900 0.78 AR (0.69) ALDH1A1CYP3A4ARPGRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504622-A Preparation method of 2,4, 6-tri (2-hydroxy-4-n-butoxyphenyl) -1,3, 5-triazine 安徽英特美科技有限公司 2025-02-25 CN claimed
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN claimed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN claimed
CN-101402610-A Synthesis method of 4-(3-chlorine-4-fluorobenzene amino)-7-methoxy-6-[3-(4-morpholinyl)-propoxy] quinoline ZHEJIANG EXCEL PHARMACEUTICAL (CN) 2009-04-08 CN claimed
CN-119504622-A Preparation method of 2,4, 6-tri (2-hydroxy-4-n-butoxyphenyl) -1,3, 5-triazine 安徽英特美科技有限公司 2025-02-25 CN disclosed
CN-119504622-A Preparation method of 2,4, 6-tri (2-hydroxy-4-n-butoxyphenyl) -1,3, 5-triazine 安徽英特美科技有限公司 2025-02-25 CN disclosed
US-20230365730-A1 HIGH TEMPERATURE BENZOXAZINE RESINS, METHODS, AND USES THEREOF KANEKA CORPORATION (JP) 2023-11-16 US disclosed
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN disclosed
CN-115040497-A Application of paeonol derivative in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-09-13 CN disclosed
CN-115028644-A SOS1 inhibitor heterocyclic compounds 首药控股(北京)股份有限公司 2022-09-09 CN disclosed
WO-2022069948-A1 HIGH TEMPERATURE BENZOXAZINE RESINS, METHODS, AND USES THEREOF KANEKA CORPORATION (JP) 2022-04-07 WO disclosed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN disclosed
WO-1999024433-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-20 WO disclosed
EP-0731099-A1 N-(3-benzofuranyl)urea-derivatives BAYER AG (DE) 1996-09-11 EP disclosed
US-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US disclosed
EP-0257583-B1 PROCESS FOR ORTHO-CYANATION OF PHENOLS OR PHENYLAMINES SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-08 EP disclosed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed
US-4774331-A THIOCYANATION IN PRESENCE OF BORON TRIFLUORIDE SHIONOGI & CO., LTD. (JP) 1988-09-27 US disclosed
EP-0257583-A1 Process for ortho-cyanation of phenols or phenylamines SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-03-02 EP 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 (1 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-20230365730-A1 HIGH TEMPERATURE BENZOXAZINE RESINS, METHODS, AND USES THEREOF KDM5C, DHX15, KDM5A NPC1 4840/4885RAB9A 4475/4885ALDH1A1 476/4885

“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.