SCHEMBL57368

SCHEMBL57368

COc1ccc(C(=O)O)c(C)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
RECQL P46063 1/20 0.49
MYC P01106 1/20 0.47
CDC25B P30305 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 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
SCHEMBL31335961 1.00 MAPT (0.62) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL4143348 0.85 MAPT (0.68) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL3189109 0.84 MAPT (0.72) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL29378830 0.84 MAPT (0.72) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL732725 0.84 MAPT (0.61) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL19615906 0.83 MAPT (0.47) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL30466426 0.81 MAPT (0.68) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL2425023 0.81 MAPT (0.68) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL11026756 0.81 MAPT (0.73) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL27822908 0.81 CA12 (0.57) MAPTTDP1KDM4EMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017199227-A1 PROCESS FOR PREPARATION OF 3,4-DIHYDROXY-2-METHYL BENZOIC ACID ALKYLESTER S & I OPHTHALMIC, LLC. (US) 2017-11-23 WO claimed
WO-2023092212-A1 FLAVOURING AGENT, COMPOSITION, PRODUCTION METHOD AND USE OF AROMATISING AND FLAVOURING AGENTS BASED ON VANILLA EXTRACTS UNIVERSIDADE FEDERAL DO ESTADO DO RIO DE JANEIRO (BR) 2023-06-01 WO disclosed
CN-111620764-B Selective ether bond cleavage method of aryl alkyl ether 荆楚理工学院 2023-05-05 CN disclosed
WO-2017199227-A1 PROCESS FOR PREPARATION OF 3,4-DIHYDROXY-2-METHYL BENZOIC ACID ALKYLESTER S & I OPHTHALMIC, LLC. (US) 2017-11-23 WO disclosed
WO-2017050928-A1 PROCESS FOR MANUFACTURING COOKED MEAT PRODUCTS PURAC BIOCHEM BV (NL) 2017-03-30 WO disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
CN-102746242-A Synthesis method of 6, 7-substituent-4-aniline quinazoline OMEGA CO LTD 2012-10-24 CN disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1572215-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-14 EP disclosed
WO-2004056369-A1 BENZO ‘ D!AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
EP-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP disclosed
US-5340827-A Phenylcarboxamide compounds which have useful pharmaceutical activity CELLTECH, LIMITED (GB) 1994-08-23 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 (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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 MAPT 866/4885TDP1 1488/4885KDM4E 694/4885

“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.