SCHEMBL888753

SCHEMBL888753

CC(C)C(=O)[C@H](O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
MAPK1 P28482 1/20 0.60
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HPGD P15428 1/20 0.53
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALOX5 P09917 1/20 0.42
NAAA Q02083 2/20 0.42

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
SCHEMBL2625469 1.00 LMNA (0.60) LMNAMAPK1CES2CES1HPGD
SCHEMBL8309883 1.00 LMNA (0.60) LMNAMAPK1CES2CES1HPGD
SCHEMBL8936450 0.85 LMNA (0.71) LMNAMAPK1CES2CES1HPGD
SCHEMBL11881718 0.83 LMNA (0.56) LMNAMAPK1CES2CES1HPGD
SCHEMBL11881723 0.83 LMNA (0.56) LMNAMAPK1CES2CES1HPGD
SCHEMBL15372276 0.80 KEAP1 (0.45) LMNAMAPK1CES2CES1ALDH1A1
SCHEMBL23135687 0.79 LMNA (0.52) LMNAMAPK1CES2CES1HPGD
SCHEMBL8461436 0.79 SRC (0.58) LMNAMAPK1CES2CES1HPGD
SCHEMBL9911551 0.79 PTGS2 (0.52) LMNAMAPK1HPGDKDM4EALDH1A1
SCHEMBL888681 0.79 L3MBTL1 (0.52) LMNAMAPK1CES2CES1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-12-27 US disclosed
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-12-27 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 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 (8 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-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L LMNA 2786/4885MAPK1 3747/4885CES2 417/4885
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 LMNA 2917/4885MAPK1 1959/4885CES2 2949/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 LMNA 2917/4885MAPK1 1959/4885CES2 2949/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 LMNA 2608/4885MAPK1 1331/4885CES2 481/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC LMNA 2228/4885MAPK1 1717/4885CES2 490/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN LMNA 4355/4885MAPK1 192/4885CES2 4662/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS LMNA 3159/4885MAPK1 4096/4885CES2 79/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP LMNA 2587/4885MAPK1 2142/4885CES2 591/4885

“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.