SCHEMBL4145653

SCHEMBL4145653

C[C@](N)(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.52
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
ALOX15 P16050 1/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 3/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL3818905 1.00 KCNN4 (0.52) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL1258172 1.00 KCNN4 (0.52) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL6360840 0.82 KCNN4 (0.58) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL27699877 0.79 KCNN4 (0.48) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL9060296 0.79 ALDH1A1 (0.48) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL13539518 0.79 KCNN4 (0.48) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL1169117 0.79 KCNN4 (0.48) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL28512430 0.77 KCNN4 (0.46) KCNN4MAPTKMT2AALDH1A1TAAR1
Hydrochloric Acid SCHEMBL6404061 0.77 ALDH1A1 (0.46) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL28029040 0.77 KCNN4 (0.46) KCNN4MAPTKMT2AALDH1A1TAAR1

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-110198928-B Benzyloxy-pyridinyl-cyclopropanecarboxylic acid, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2023-08-29 CN disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 US disclosed
EP-3663308-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-06-10 EP disclosed
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2019-07-04 US disclosed
CN-105177070-A Method for yeast production of (S)-aminophenyl ethanol UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-23 CN disclosed
CN-105177070-A Method for yeast production of (S)-aminophenyl ethanol UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-23 CN disclosed
US-20090012144-A1 Optically active 2,5-bisaryl-delta¹ -pyrrolines and their use as pest control agents PLANT ANDREW 2009-01-08 US disclosed
US-7419936-B2 Optically active 2,5-bisaryl-Δ1-pyrrolines and their use as pest control agents BAYER CROPSCIENCE AG (DE) 2008-09-02 US disclosed
CN-101035537-A Compositions and methods for treating ocular diseases MERCK & CO INC (US) 2007-09-12 CN disclosed
CN-1976927-A Quinoline thiazolinone compound HOFFMANN LA ROCHE (CH) 2007-06-06 CN disclosed
EP-1076646-B1 METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS SOLVAY PHARM GMBH (DE) 2004-08-04 EP disclosed
US-20040059129-A1 Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents BAYER CROPSCIENCE AG (DE) 2004-03-25 US disclosed
US-20030220517-A1 Method for producing ketocarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2003-11-27 US disclosed
EP-1322587-A1 METHOD FOR PRODUCING KETOCARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2003-07-02 EP disclosed
EP-1322607-A1 OPTICALLY ACTIVE 2,5-BISARYL-DELTA1-PYRROLINES AND THEIR USE AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2003-07-02 EP disclosed
WO-2002024622-A1 METHOD FOR PRODUCING KETOCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2002-03-28 WO disclosed
WO-2002024643-A1 OPTICALLY ACTIVE 2,5-BISARYL-DELTA1-PYRROLINES AND THEIR USE AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2002-03-28 WO disclosed
CN-1291978-A Meta-azacyclic amino benzoic acid compound and derivatives thereof being integrin antagonists SEARLE & CO (US) 2001-04-18 CN disclosed
EP-1076646-A1 METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2001-02-21 EP disclosed
WO-1999058500-A1 METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 1999-11-18 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 (5 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-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, MRPL21 KCNN4 3126/4885MAPT 3891/4885KMT2A 1573/4885
US-20030220517-A1 Method for producing ketocarboxylic acid derivatives CYP2F1, HK1, FBP1 KCNN4 725/4885MAPT 4405/4885KMT2A 2252/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 KCNN4 3126/4885MAPT 3891/4885KMT2A 1573/4885
US-20090012144-A1 Optically active 2,5-bisaryl-delta¹ -pyrrolines and their use as pest control agents PLD1, RPS3A, AMY1A KCNN4 3534/4885MAPT 2959/4885KMT2A 3981/4885
US-20040059129-A1 Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents DDT, CRY1, PLD1 KCNN4 2099/4885MAPT 3257/4885KMT2A 3858/4885

“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.