SCHEMBL6544643

SCHEMBL6544643

CC(c1ccccc1)(c1ccccc1)C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KIF11 P52732 5/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL7197406 1.00 MAPT (0.47) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL16021883 1.00 MAPT (0.47) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL16021889 0.85 KMT2A (0.45) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL16021885 0.85 KMT2A (0.45) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL616620 0.83 MAPT (0.53) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL60357 0.83 MAPT (0.47) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL1068997 0.82 KMT2A (0.50) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL7019907 0.81 MAPT (0.45) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL6874329 0.81 MAPT (0.45) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL17093302 0.81 MAPT (0.45) MAPTKMT2ACYP2C19HIF1AHDAC3

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744231-A Method for splitting 2-hydracrylicacid racemate TIANJIN INST PHARM RESEARCH 2015-07-01 CN claimed
CN-103086877-A Splitting method of 2-hydracrylic acid racemic mixture ZHEJIANG HUAHAI PHARM CO LTD 2013-05-08 CN claimed
EP-1124782-B1 METHOD FOR RACEMATE SPLITTING OF 2-HYDROXYPROPIONIC ACIDS ABBOTT GMBH & CO KG (DE) 2004-01-02 EP claimed
US-6559338-B1 Method for racemate splitting of 2-hydroxypropionic acids BASF AKTIENGESELLSCHAFT (DE) 2003-05-06 US claimed
CN-105801404-B A kind of S-2- hydroxy-3-methoxy -3,3- diphenyl-propionic acid and preparation method thereof 辽宁远大诺康生物制药有限公司 2019-01-08 CN disclosed
CN-103086877-B A kind of method for splitting of 2 hydracrylic acid class racemoid 浙江华海药业股份有限公司 2017-08-25 CN disclosed
CN-105801404-A S-2-hydroxy-3-methoxy-3, 3-dibenzylpropionic acid and preparation method thereof 辽宁诺康生物制药有限责任公司 2016-07-27 CN disclosed
CN-104744231-A Method for splitting 2-hydracrylicacid racemate TIANJIN INST PHARM RESEARCH 2015-07-01 CN disclosed
US-20140256004-A1 Process for the Preparation of an Endothelin Receptor Antagonist CIPLA LIMITED (IN) 2014-09-11 US disclosed
US-20130184490-A1 PROCESS TO PREPARE S-2-HYDROXY-3-METHOXY-3,3-DIPHENYL PROPIONIC ACID NATCO PHARMA LIMITED (IN) 2013-07-18 US disclosed
CN-103086877-A Splitting method of 2-hydracrylic acid racemic mixture ZHEJIANG HUAHAI PHARM CO LTD 2013-05-08 CN disclosed
WO-2012017441-A1 IMPROVED PROCESS TO PREPARE S-2-HYDROXY-3-METHOXY-3,3-DIPHENYL PROPIONIC ACID NATCO PHARMA LIMITED (IN) 2012-02-09 WO disclosed
US-6686369-B1 α-hydrdroxylic acid derivatives, their production and use ABBOTT GMBH & CO., KG (DE) 2004-02-03 US disclosed
EP-1124782-B1 METHOD FOR RACEMATE SPLITTING OF 2-HYDROXYPROPIONIC ACIDS ABBOTT GMBH & CO KG (DE) 2004-01-02 EP disclosed
US-6646152-B1 Decyclization of glycidyl ester using organoaluminum reagent; no side reactions ABBOTT GMBH & CO. KG (DE) 2003-11-11 US disclosed
US-6559338-B1 Method for racemate splitting of 2-hydroxypropionic acids BASF AKTIENGESELLSCHAFT (DE) 2003-05-06 US disclosed
US-6448248-B1 ENDOTHELIN IS INVOLVED IN A NUMBER OF ILLNESSES INCLUDING: HYPERTENSION, ACUTE MYOCARDIAL INFARCT, PULMONARY HYPERTENSION, RAYNAUD'S SYNDROME, CEREBRAL VASOSPASMS, STROKE, BENIGN PROSTATE HYPERTROPHY, ATHEROSCLEROSIS AND ASTHMA ABBOTT LABORATORIES 2002-09-10 US disclosed
EP-1124782-A1 METHOD FOR RACEMATE SPLITTING OF 2-HYDROXYPROPIONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2001-08-22 EP disclosed
WO-2000026170-A1 METHOD FOR RACEMATE SPLITTING OF 2-HYDROXYPROPIONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
CN-1247533-A Heterocyclic carboxylic acid derivatives, their preparation and their use as endothelin (endothielin) receptor antagonists BASF AG (DE) 2000-03-15 CN 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-20130184490-A1 PROCESS TO PREPARE S-2-HYDROXY-3-METHOXY-3,3-DIPHENYL PROPIONIC ACID PAH, TGFB2, TGFBR2 MAPT 4545/4885KMT2A 283/4885CYP2C19 1741/4885
US-20140256004-A1 Process for the Preparation of an Endothelin Receptor Antagonist EDNRB, EDNRA, AGTR1 MAPT 4679/4885KMT2A 2150/4885CYP2C19 266/4885

“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.