SCHEMBL442779

SCHEMBL442779

Cc1c(C(=O)O)oc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.60
KCNH2 Q12809 1/20 0.59
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
RECQL P46063 2/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 2/20 0.56
GPR35 Q9HC97 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
EDNRA P25101 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 1/20 0.54
ATM Q13315 1/20 0.54

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
Hydrochloric Acid SCHEMBL9789912 0.98 MCL1 (0.58) MCL1KCNH2KDM4EHPGDL3MBTL1
SCHEMBL29587413 0.87 TTR (0.52) MCL1KCNH2KDM4EHPGDL3MBTL1
SCHEMBL6045428 0.87 TTR (0.52) MCL1KCNH2KDM4EHPGDL3MBTL1
SCHEMBL15619119 0.85 KCNH2 (0.56) KCNH2HPGDL3MBTL1ALDH1A1HTT
SCHEMBL114250 0.85 KMT2A (0.60) KCNH2KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL30608270 0.84 NPC1 (0.66) KCNH2KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL25472764 0.83 KCNH2 (0.58) KCNH2KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL353910 0.83 KCNH2 (0.58) KCNH2KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL992866 0.83 KCNH2 (0.58) KCNH2HPGDL3MBTL1ALDH1A1HTT
SCHEMBL28392940 0.83 NPC1 (0.60) MCL1KCNH2KDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138479-B Tricyclohexyltin 3-methylbenzofuran-2-formate complex and preparation method and application thereof 衡阳师范学院 2023-07-28 CN claimed
CN-116082353-A Preparation method of dihydrobenzofuran spiro-pyrrolidone 浙江工业大学 2023-05-09 CN claimed
CN-109694343-B Decarboxylation method of heterocyclic carboxylic acid compounds 帕潘纳(北京)科技有限公司 2020-07-28 CN claimed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN claimed
CN-111138479-A Tricyclohexyltin 3-methylbenzofuran-2-formate complex as well as preparation method and application thereof 衡阳师范学院 2020-05-12 CN claimed
CN-111138475-A Tri (2-methyl-2-phenylpropyl) tin 3-methylbenzofuranformate complex and preparation method and application thereof 衡阳师范学院 2020-05-12 CN claimed
CN-109694343-A A kind of heterocyclic carboxylic acid class compound it is decarboxylation method used 帕潘纳(北京)科技有限公司 2019-04-30 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
CN-107188846-A A kind of synthetic method of arylseleno heterocyclic compound 温州医科大学 2017-09-22 CN claimed
CN-106748604-A A kind of method for synthesizing single iodo aromatic hydrocarbon or two iodo aromatic hydrocarbons based on aromatic carboxylic acid's decarboxylic reaction 湘潭大学 2017-05-31 CN claimed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1153022-A4 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
EP-1153022-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-14 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
WO-2001034566-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
WO-2001034155-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
WO-2000049011-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-24 WO claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed

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-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A MCL1 1905/4885KCNH2 977/4885KDM4E 2520/4885

“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.