SCHEMBL1404342

SCHEMBL1404342

CC(C)CC1=C(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
AKR1C2 P52895 2/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33
RARB P10826 1/20 0.33
ADRB3 P13945 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
NR1I3 Q14994 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CXCL8 P10145 1/20 0.33
TSHR P16473 1/20 0.33

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
Acetic Acid SCHEMBL8681207 0.96 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL105194 0.75
SCHEMBL2909565 0.71 CA2 (0.41) ALDH1A1LMNATSHR
SCHEMBL2841327 0.71 SCD (0.34) ALDH1A1
SCHEMBL9785266 0.70 POLB (0.32) POLB
SCHEMBL294898 0.68 SCD (0.44) ALDH1A1LMNARARBNFKB1TSHR
SCHEMBL18043858 0.67 CHRM1 (0.37) ALDH1A1ALOX5POLB
Maleic Acid SCHEMBL9579937 0.67 HCAR2 (0.36) TSHRTP53
Fumaric Acid SCHEMBL7629001 0.67 HCAR2 (0.36) TSHRTP53
SCHEMBL168735 0.66 PYGM (0.35) ALDH1A1TSHRBLMPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144956-B1 HEAT SEALABLE COATING COMPOSITIONS AKZO NOBEL COATINGS INT BV (NL) 2011-03-09 EP claimed
EP-2144957-B1 PROTECTIVE SEALABLE COATING COMPOSITIONS AKZO NOBEL COATINGS INT BV (NL) 2011-03-09 EP claimed
US-20090233935-A1 Methods for Fabrication of Antimicrobial Surfaces RESEARCH FOUNDATION OF CITY UNIVERSITY OF NEW YORK (US) 2009-09-17 US disclosed
EP-1945229-A2 METHODS FOR FABRICATION OF ANTIMICROBIAL SURFACES Research Foundation of the City University of New York (US) 2008-07-23 EP disclosed
WO-2008018890-A2 METHODS FOR FABRICATION OF ANTIMICROBIAL SURFACES RESEARCH FOUNDATION OF CITY UNIVERSITY OF NEW YORK (US) 2008-02-14 WO disclosed
US-4368233-A ETHYLIDENE-PROPYLENE-DIENE TERPOLYMER, HIGH DENSITY POLYETHYLENE, ETHYLENE-PROPYLENE BLOCK COPOLYMER AND ETHYLENE-ISOBUTYL ACRYLATE COPOLYMER STANDARD OIL COMPANY (INDIANA) (US) 1983-01-11 US disclosed
US-4255323-A COMPRISING A BLEND OF ETHYLENE-PROPYLENE BLOCK COPOLYMER, POLYETHYLENE, AND ETHYLENE-ISOBUTYL ACRYLATE COPOLYMER; POLYPROPYLENE FABRIC STANDARD OIL COMPANY (INDIANA) (US) 1981-03-10 US disclosed
US-4211692-A EPDM TERPOLYMER STANDARD OIL COMPANY (INDIANA) (US) 1980-07-08 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 (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-20090233935-A1 Methods for Fabrication of Antimicrobial Surfaces ADH1A, ADH1C, HAO2 ALDH1A1 265/4885PTGS1 467/4885PTGS2 502/4885

“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.