SCHEMBL514175

SCHEMBL514175

COCC(Br)C(=O)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
GSK3B P49841 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL2097664 0.84 ALDH1A1 (0.60) ALDH1A1CYP1A2GSK3BCES2CES1
SCHEMBL10799128 0.82 TSHR (0.44) ALDH1A1CYP1A2CES2CES1MAPT
SCHEMBL5060223 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2GSK3BCES2CES1
SCHEMBL4932919 0.81 SLC6A2 (0.57) ALDH1A1CYP1A2GSK3BCES2CES1
SCHEMBL25545681 0.81 ALDH1A1 (0.57) ALDH1A1CYP1A2GSK3BCES2CES1
SCHEMBL1108991 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2GSK3BCES2CES1
SCHEMBL3360353 0.80 ALDH1A1 (0.68) ALDH1A1CYP1A2GSK3BCES2CES1
SCHEMBL6808422 0.79 MAOB (0.58) ALDH1A1KMT2ALMNAMEN1RAB9A
SCHEMBL1302941 0.79 ALDH1A1 (0.54) ALDH1A1CYP1A2GSK3BCES2CES1
SCHEMBL10918618 0.79 TSHR (0.54) ALDH1A1CYP1A2CA1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102146026-B Protosappanin A derivative and preparation method and application thereof UNIV HARBIN MEDICAL 2013-04-24 CN disclosed
US-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2012-02-02 US disclosed
CN-102171173-A Scalable synthetic process for making meso-1,4 - bis (3,4 - dimethoxyphenyl)-dimethyl butane ERIMOS PHARMACEUTICALS LLC 2011-08-31 CN disclosed
CN-102146026-A Protosappanin A derivative and preparation method and application thereof UNIV HARBIN MEDICAL 2011-08-10 CN disclosed
EP-2318347-A2 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL Erimos Pharmaceuticals LLC (US) 2011-05-11 EP disclosed
WO-2010014936-A2 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2010-02-04 WO disclosed
EP-0247035-B1 OPTICALLY ACTIVE DL-NORDIHYDROGUAIARETIC ACID ISOMERS AND THEIR RACEMATES, PROCESS FOR PREPARING THEM AND METHOD OF IMPARTING A PLE CHEMEX PHARMACEUTICALS, INC. (US) 1990-01-24 EP disclosed
EP-0154887-B1 NEW 2,5-DIARYL TETRAHYDROTHIOPHENES AND ANALOGS THEREOF AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-01-25 EP disclosed
US-4757084-A Pharmaceuticals MERCK & CO., INC. (US) 1988-07-12 US disclosed
EP-0247035-A1 Optically active dl-nordihydroguaiaretic acid isomers and their racemates, process for preparing them and method of imparting a ple. CHEMEX PHARMACEUTICALS INC (US) 1987-12-02 EP disclosed
EP-0070171-B1 NOVEL PIPERIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KYOWA HAKKO KOGYO CO., LTD (JP) 1986-10-15 EP disclosed
US-4595693-A Method of use of 2,5-diaryl tetrahydrofurans and analogs thereof as PAF-antagonists MERCK & CO., INC. (US) 1986-06-17 US disclosed
US-4562298-A Optically active nordihydroguaiaretic acid and intermediates CHEMEX PHARMACEUTICALS, INC. (US) 1985-12-31 US disclosed
EP-0154887-A1 New 2,5-diaryl tetrahydrothiophenes and analogs thereof as paf-antagonists MERCK & CO. INC. (US) 1985-09-18 EP disclosed
EP-0029707-B1 NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-02-01 EP disclosed
US-4390536-A HYPOTENSIVE AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-06-28 US disclosed
EP-0070171-A1 Novel piperidine derivatives, processes for preparation thereof and pharmaceutical compositions containing same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-01-19 EP disclosed
US-4344948-A HYPOTENSIVE AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-08-17 US disclosed
US-4344945-A HYPOTENSIVE AGENTS, BENZOXAZINYL DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-08-17 US disclosed
EP-0029707-A1 Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-06-03 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-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL PTGIS, PTGES, POR ALDH1A1 594/4885CYP1A2 46/4885GSK3B 3713/4885

“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.