SCHEMBL3278653

SCHEMBL3278653

CCC(C=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
ALOX5 P09917 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL3278647 1.00 PTGS1 (0.49) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL11285019 0.82 L3MBTL1 (0.45) LMNACYP2C9AKR1C3TSHRAKR1C2
SCHEMBL13631877 0.80 HDAC8 (0.32) PTGS1LMNACYP2C9ESR1CHRM1
SCHEMBL7623081 0.80 TYR (0.50) LMNACYP2C9
SCHEMBL1178318 0.79 PTGS1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL1649474 0.79 PTGS1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL2919840 0.79 PTGS1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL27843929 0.77 MEN1 (0.46) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL28245936 0.77 TYR (0.47) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL29047003 0.76 SRD5A2 (0.39) LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102336714-A Hydantoin ibuprofen derivative and synthetic method and application thereof UNIV JILIN 2012-02-01 CN claimed
CN-102066316-A Novel compounds derived from taurine, process for their preparation and pharmaceutical compositions containing them EMS SA 2011-05-18 CN claimed
EP-0766658-B1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEM PLASTIC (US) 2002-04-10 EP claimed
EP-0862549-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2000-05-31 EP claimed
JP-2966094-B2 1999-10-25 JP claimed
EP-0862549-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-09-09 EP claimed
US-5739385-A OXIDIZING AN OPTICALLY ACTIVE ALDEHYDE WITH A PERACID IN THE PRESENCE OF AN AMINE AND/OR AMINE N-OXIDE CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US claimed
EP-0673381-A4 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS. UNIV LOUISIANA STATE (US) 1997-09-10 EP claimed
WO-1997014669-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO claimed
EP-0766658-A1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-09 EP claimed
US-5491266-A REACTING CHIRAL COMPOUND IN PRESENCE OF OPTICALLY ACTIVE METAL-LIGAND COMPLEX UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-02-13 US claimed
EP-0600020-B1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEM PLASTIC (US) 1996-01-31 EP claimed
WO-1996000200-A1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-04 WO claimed
EP-0673381-A1 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1995-09-27 EP claimed
US-5430194-A Maintaining solution at temperature above eutectic temperature of mixture such that solubility limit of first aldehyde is exceeded to form crystalline first aldehyde containing less of second aldehyde UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-07-04 US claimed
WO-1994020510-A1 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1994-09-15 WO claimed
WO-1993003839-A1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-04 WO claimed
CN-102336714-A Hydantoin ibuprofen derivative and synthetic method and application thereof UNIV JILIN 2012-02-01 CN disclosed
US-20070073092-A1 Method for asymmetric synthesis BASF AKTIENGESELLSCHAFT (DE) 2007-03-29 US disclosed
EP-0600020-B1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEM PLASTIC (US) 1996-01-31 EP 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 (1 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-20070073092-A1 Method for asymmetric synthesis COASY, PIN1, INF2 PTGS1 2977/4885PTGS2 1491/4885ALOX5 2252/4885

“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.