SCHEMBL180366

SCHEMBL180366

O=C(O)[C@H](O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
KDM6B O15054 1/20 0.57
CPA1 P15085 4/20 0.55
CPA3 P15088 3/20 0.55
FOLH1 Q04609 1/20 0.55
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55
PTPRA P18433 1/20 0.55
SRR Q9GZT4 2/20 0.53
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
MDM2 Q00987 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL57558 1.00 CYP1A2 (0.64) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL8953468 1.00 CYP1A2 (0.64) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL197252 1.00 CYP1A2 (0.64) CYP1A2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1374834 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Methane SCHEMBL3799102 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL5800210 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1374832 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Acetone SCHEMBL16013120 0.94 ALPI (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL22767830 0.92 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP
Tetramethylammonium Ion SCHEMBL9303721 0.92 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
CN-120114342-A Use of 3-phenyllactate or a fermentation product comprising 3-phenyllactate for the preparation of a skin care product and a skin care product 山东萨科睿德生物技术有限公司 2025-06-10 CN claimed
CN-119798135-A Organic compound, preparation method thereof, bactericide and purifying device 珠海格力电器股份有限公司 2025-04-11 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-117567425-A Method for preparing cyclic carbonate from halogen-free ionic liquid 南京工业大学 2024-02-20 CN claimed
CN-117417513-A Method for preparing polyester by catalyzing ring-opening polymerization of cyclic monomer based on acid-base adduct of organic alkali and alpha-hydroxy acid 南京工业大学 2024-01-19 CN claimed
US-20230405091-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS B.V. (NL) 2023-12-21 US claimed
EP-4228424-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP Assets B.V. (NL) 2023-08-23 EP claimed
US-20230200412-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP ASSETS B.V. (NL) 2023-06-29 US claimed
EP-4118090-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP Assets B.V. (NL) 2023-01-18 EP claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7811804-B2 synthetic or recombinant polypeptide having a nitrilase activity; have increased activity and stability at increased pH and temperature VERENIUM CORPORATION (US) 2010-10-12 US claimed
US-20100216214-A1 hydrolysis of a hydroxyglutaryl nitrile to generate an ethyl 4-cyano-3-hydroxybutyrate; hydrolysis of a mandelonitrile to generate a mandelic acid; hydrolysis of phenyllactocyanonitrile to generate an (S)-phenyllactic acid VERENIUM CORPORATION (US) 2010-08-26 US claimed
EP-2115153-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2009-11-11 EP claimed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US claimed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP claimed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO claimed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US claimed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US claimed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US claimed

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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 CYP1A2 2975/4885ALPI 3189/4885PKM 3644/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 CYP1A2 1608/4885ALPI 2707/4885PKM 3118/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS CYP1A2 1283/4885ALPI 1278/4885PKM 3109/4885

“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.