SCHEMBL4953

SCHEMBL4953

Brc1ccc(OCc2ccccc2)cc1.[MgH2]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTGS2 P35354 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HIF1A Q16665 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
APP P05067 1/20 0.63
MAOB P27338 5/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
MAOA P21397 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
AR P10275 1/20 0.60

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
SCHEMBL228292 0.98 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7665986 0.92 MCL1 (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
Formaldehyde SCHEMBL27728539 0.92 RXRA (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8616107 0.92 MCL1 (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL12717358 0.92 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
Methyl Alcohol SCHEMBL27428217 0.92 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11839266 0.90 APP (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL419232 0.89 MAOB (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL13903288 0.89 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
Formic Acid SCHEMBL28571007 0.87 RXRA (0.61) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-110066302-B Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2022-12-27 CN disclosed
EP-3743412-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-12-02 EP disclosed
US-10597361-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2020-03-24 US disclosed
WO-2019144864-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-08-01 WO disclosed
CN-104803846-B The method for preparing bis- [4- (6- acryloyl-oxy hexyl) phenyl] hexamethylene -1,4- dicarboxylic esters 默克专利股份有限公司 2019-06-11 CN disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
CN-104803846-A Method for the preparation of bis[4-(6-acryloyloxy-hexyl)-phenyl]cyclohexane-1,4-dicarboxylate MERCK PATENT GMBH 2015-07-29 CN disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed
US-5254577-A Aminomethyloxooxazolidinyl arylbenzene derivatives useful as antibacterial agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-10-19 US disclosed
US-5130316-A Arylbenzene oxazolidinone compounds DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-07-14 US disclosed
US-5043443-A Bactericides DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-27 US disclosed
US-4948801-A Aminomethyloxooxazolidinyl arylbenzene derivatives useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 US disclosed
US-4011321-A 6-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXYARYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-08 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 (2 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-10597361-B2 Ethynylbenzene derivatives Q6ZSR9, EPX, ZYX LMNA 2493/4885CYP1A2 886/4885PTGS1 2547/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX LMNA 2493/4885CYP1A2 886/4885PTGS1 2547/4885

“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.