SCHEMBL1068997

SCHEMBL1068997

COC(=O)C(O)C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KCNN4 O15554 1/20 0.50
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
MAPT P10636 2/20 0.42
CES1 P23141 1/20 0.42
KIF11 P52732 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4366561 0.87 KMT2A (0.48) KMT2AKCNN4HDAC3HDAC4HDAC1
SCHEMBL18595880 0.83 KMT2A (0.48) KMT2AKCNN4HDAC3HDAC4HDAC1
SCHEMBL7197406 0.82 MAPT (0.47) KMT2AKCNN4HDAC3HDAC4HDAC1
SCHEMBL16021883 0.82 MAPT (0.47) KMT2AKCNN4HDAC3HDAC4HDAC1
SCHEMBL6544643 0.82 MAPT (0.47) KMT2AKCNN4HDAC3HDAC4HDAC1
SCHEMBL24517965 0.81 KMT2A (0.47) KMT2AKCNN4HDAC3HDAC4HDAC1
SCHEMBL2354447 0.81 KMT2A (0.47) KMT2AKCNN4CES1KIF11TSHR
SCHEMBL571027 0.81 KMT2A (0.47) KMT2AKCNN4CES1KIF11TSHR
SCHEMBL6779283 0.81 PIN1 (0.49) KMT2ACYP2C19HIF1ATSHRALDH1A1
SCHEMBL27575494 0.81 KMT2A (0.47) KMT2AKCNN4HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2013-11-28 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
US-8349843-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
US-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2012-04-12 US 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-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2011-07-21 US disclosed
US-RE42477-E1 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-21 US disclosed
US-RE42462-E1 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-14 US disclosed
US-7863445-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-01-04 US disclosed
US-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-03-25 US disclosed
US-6686369-B1 α-hydrdroxylic acid derivatives, their production and use ABBOTT GMBH & CO., KG (DE) 2004-02-03 US disclosed
US-6600043-B2 Pyramidine or triazine derivatives which specifically inhibit the binding of endothelin to the receptor BASF AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-05-02 US disclosed
US-6197958-B1 CYCLOPENTAPYRIMIDINE DERIVATIVES; ENDOTHELIN RECEPTOR INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-5969134-A CARDIOVASCULAR DISORDERS, VASOCONSTRICTION, HYPOTENSIVE AGENTS AND RELEASE OF ENDOTHELINS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5932730-A Carboxylic acid derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
CN-1222146-A Novel alpha-hydroxy acid derivatives, their preparation and their use BASF AG (DE) 1999-07-07 CN disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 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 (6 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-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 KMT2A 2424/4885KCNN4 4240/4885HDAC3 662/4885
US-20130184490-A1 PROCESS TO PREPARE S-2-HYDROXY-3-METHOXY-3,3-DIPHENYL PROPIONIC ACID PAH, TGFB2, TGFBR2 KMT2A 283/4885KCNN4 2011/4885HDAC3 114/4885
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 KMT2A 2416/4885KCNN4 4551/4885HDAC3 388/4885
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 KMT2A 2152/4885KCNN4 4213/4885HDAC3 725/4885
US-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 KMT2A 2152/4885KCNN4 4213/4885HDAC3 725/4885
US-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 KMT2A 2152/4885KCNN4 4213/4885HDAC3 725/4885

“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.