SCHEMBL677922

SCHEMBL677922

CC(Br)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.62
ESR2 Q92731 8/20 0.62
PDCD1 Q15116 1/20 0.62
CD274 Q9NZQ7 1/20 0.62
LMNA P02545 3/20 0.54
ALOX15 P16050 3/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.54
CYP2C9 P11712 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP2D6 P10635 2/20 0.54
SLC6A2 P23975 2/20 0.54
ADRA1A P35348 2/20 0.54
OPRM1 P35372 2/20 0.54
SLC6A3 Q01959 2/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
AR P10275 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
SCHEMBL1415320 0.85 ESR1 (0.38) ESR1ESR2PDCD1CD274LMNA
SCHEMBL13898476 0.79 ESR1 (0.56) ESR1ESR2PDCD1CD274LMNA
SCHEMBL10628645 0.78 ESR1 (0.62) ESR1ESR2PDCD1CD274LMNA
SCHEMBL28954 0.77 ESR1 (0.68) ESR1ESR2PDCD1CD274LMNA
SCHEMBL26946 0.77 ESR1 (1.00) ESR1ESR2PDCD1CD274LMNA
SCHEMBL9510147 0.77 PTGS2 (0.39) ESR1ESR2PDCD1CD274CYP3A4
SCHEMBL11949347 0.77 ESR1 (0.68) ESR1ESR2PDCD1CD274LMNA
SCHEMBL5695686 0.77 TYR (0.46) LMNACYP2C9CYP2D6PTGS1HIF1A
SCHEMBL4247422 0.77 ESR1 (0.68) ESR1ESR2PDCD1CD274LMNA
SCHEMBL5709283 0.77 ESR1 (0.55) ESR1ESR2PDCD1CD274LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683491-A Preparation method of 4- (2-bromoethyl) phenol 王传良 2021-11-23 CN disclosed
CN-113683522-A Preparation method of N-methyltyramine hydrochloride 广汉市派瑞林科技有限责任公司 2021-11-23 CN disclosed
CN-113620821-A Preparation method of hordenine hydrochloride 广汉市派瑞林科技有限责任公司 2021-11-09 CN disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-1807436-B1 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES INC (US) 2014-06-18 EP disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
EP-1541550-A1 ORGANIC TELLURIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH THE SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2005-06-15 EP disclosed
EP-1541592-A1 PROCESS FOR PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-06-15 EP disclosed
US-5801274-A N- mercaptoacyl(amino acid or peptide)! compounds and S-lipophilic aliphatic carbonyl derivatives thereof as antihypertensives INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-09-01 US disclosed
EP-0609310-B1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INST NAT SANTE RECH MED (FR) 1998-07-29 EP disclosed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US disclosed
EP-0609310-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-10 EP disclosed
WO-1994017036-A1 S-LIPOPHILIC ALIPHATIC CARBONYL [N-MERCAPTOACYL-(AMINO ACID OR PEPTIDE)] COMPOUNDS AS ANTIHYPERTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-04 WO disclosed
EP-0539848-A1 N-(mercaptoacyl)amino acids, methods of their preparation and therapeutic use, and pharmaceutical compositions containing them INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-05-05 EP disclosed
WO-1993008162-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-29 WO disclosed
EP-0058981-B1 COLORLESS LIQUID CRYSTALLINE COMPOUNDS Hitachi, Ltd. (JP) 1986-01-22 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 (3 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ESR1 433/4885ESR2 334/4885PDCD1 4406/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ESR1 407/4885ESR2 273/4885PDCD1 4347/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 ESR1 298/4885ESR2 136/4885PDCD1 4784/4885

“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.