SCHEMBL391659

SCHEMBL391659

O=C(O)CC(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.79
GABBR1 Q9UBS5 4/20 0.79
CYP2C9 P11712 3/20 0.79
LMNA P02545 2/20 0.79
CYP2D6 P10635 2/20 0.79
CYP2C19 P33261 2/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
CYP3A4 P08684 1/20 0.79
ADORA3 P0DMS8 1/20 0.79
NFKB1 P19838 1/20 0.79
DRD3 P35462 1/20 0.79
BLM P54132 1/20 0.79
CYP1A2 P05177 1/20 0.79
THRB P10828 1/20 0.79
TSHR P16473 1/20 0.79
FNTA P49354 4/20 0.60
FNTB P49356 4/20 0.60
HSD17B10 Q99714 1/20 0.56
FFAR1 O14842 1/20 0.51

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
SCHEMBL28014207 0.98 GABBR2 (0.76) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL7822991 0.91 GABBR2 (0.72) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL22172484 0.91 GABBR2 (0.72) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL9076600 0.90 GABBR2 (0.71) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL15405894 0.90 GABBR2 (0.71) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL7525502 0.90 GABBR2 (0.71) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL657723 0.89 GABBR2 (0.65) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL10253260 0.89 CYP2C9 (0.65) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL16249736 0.89 GABBR2 (0.61) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL11321913 0.88 GABBR2 (0.69) GABBR2GABBR1CYP2C9LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113564144-B Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2025-04-04 CN claimed
CN-115403778-B Fluorescence enhanced coordination polymer for detecting erythromycin in water and application thereof 渤海大学 2023-06-09 CN claimed
CN-115403778-A Fluorescence-enhanced coordination polymer for detecting erythromycin in water and application thereof 渤海大学 2022-11-29 CN claimed
CN-111118232-B Retanning filler and preparation method thereof 温州大学 2022-04-01 CN claimed
CN-113736066-A Shape memory epoxy resin with adjustable recovery stress and recovery stress regulation and control method of shape memory epoxy resin 中国工程物理研究院化工材料研究所 2021-12-03 CN claimed
CN-111118232-A Retanning filler and preparation method thereof 温州大学 2020-05-08 CN claimed
CN-110698338-A Preparation method of 3- (4-chlorobenzene) glutaric acid 广西奕安泰药业有限公司 2020-01-17 CN claimed
CN-109053425-A A kind of high-purity 3-(4- chlorobenzene) glutaric acid purification preparation method 中山奕安泰医药科技有限公司 2018-12-21 CN claimed
CN-104592007-B A kind of 3-(4-chloro-phenyl-) pentanedioic acid cadmium coordination polymer and preparation method thereof Suzhou College (CN) 2016-03-30 CN claimed
CN-104592259-A Zn (II) coordination polymer and preparation method thereof UNIV SUZHOU 2015-05-06 CN claimed
CN-104592007-A 3-(4-chlorphenyl) glutaric acid cadmium coordination polymer and preparation method thereof UNIV SUZHOU 2015-05-06 CN claimed
CN-102863347-B Preparation method of chiral baclofen MENG KUN 2015-01-14 CN claimed
CN-102863347-A Preparation method of chiral baclofen MENG KUN 2013-01-09 CN claimed
CN-101514167-B Preparation method of chiral baclofen MENG KUN 2012-11-28 CN claimed
CN-101514167-A Preparation method of chiral baclofen MENG KUN (CN) 2009-08-26 CN claimed
US-20230312807-A1 SPANDEX FIBER WITH REVERSIBLE TRIPLE-SHAPE MEMORY EFFECT AND PREPARATION METHOD THEREOF WUYI UNIVERSITY (CN) 2023-10-05 US disclosed
CN-115403778-B Fluorescence enhanced coordination polymer for detecting erythromycin in water and application thereof 渤海大学 2023-06-09 CN disclosed
US-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
EP-0518939-A1 ANTIARRHYTHMIC AGENTS BTG INTERNATIONAL LIMITED (GB) 1992-12-23 EP disclosed
WO-1991013865-A1 ANTIARRHYTHMIC AGENTS ISIS INNOVATION LIMITED (GB) 1991-09-19 WO 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-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 GABBR2 908/4885GABBR1 981/4885CYP2C9 558/4885

“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.