SCHEMBL538051

SCHEMBL538051

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.52
ACP3 P15309 1/20 0.47
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
SRC P12931 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL168463 1.00 LMNA (0.52) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL168464 1.00 LMNA (0.52) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL28545652 0.98 LMNA (0.50) LMNAMAPK1ACP3ESR1ALDH1A1
1,2-Dichlorobenzene SCHEMBL27641832 0.91 FABP4 (0.46) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL275598 0.84 LMNA (0.64) LMNAMAPK1ALDH1A1L3MBTL1POLB
SCHEMBL28143820 0.83 LMNA (0.43) LMNAMAPK1ACP3ALDH1A1L3MBTL1
SCHEMBL21552683 0.83 ESR1 (0.45) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL124623 0.83 ESR1 (0.45) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL27719983 0.82 ALDH1A1 (0.41) LMNAMAPK1ALDH1A1FABP4FABP5
SCHEMBL959019 0.82 CES2 (0.57) LMNAACP3ESR1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 US claimed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 EP claimed
US-20060259999-A1 Modified nitrilases and their use in methods for the production of carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 US claimed
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP claimed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO claimed
US-4973750-A Preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1990-11-27 US claimed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
EP-3196185-B1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2019-06-12 EP disclosed
CN-109689667-A Porous chiral material and use thereof 南开大学 2019-04-26 CN disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 US disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 US disclosed
US-9718052-B2 Catalysts and related processes for producing optically pure beta-lactones from aldehydes and compositions produced thereby THE UNIVERSITY OF TOLEDO (US) 2017-08-01 US disclosed
EP-3196185-A1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND Zhejiang Jiuzhou Pharma Science & Technology Co., Ltd. (CN) 2017-07-26 EP disclosed
EP-0200739-B1 PREPARATION OF (THREO)-1-ARYL-2-ACYLAMIDO-3-FLUORO-1-PROPANOLS SCHERING CORPORATION (US) 1989-07-19 EP disclosed
US-4677214-A Intermediates for preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1987-06-30 US disclosed
US-4582918-A Preparation of intermediates for (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1986-04-15 US disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4172196-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4112228-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1978-09-05 US disclosed
US-3985738-A ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1976-10-12 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-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK LMNA 3213/4885MAPK1 1240/4885ACP3 1993/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 LMNA 219/4885MAPK1 1200/4885ACP3 2224/4885

“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.