SCHEMBL1782624

SCHEMBL1782624

CCCC/C(C)=C/C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.48
CES2 O00748 5/20 0.48
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.44
CA1 P00915 1/20 0.42
AKR1B1 P15121 1/20 0.39
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
GPR84 Q9NQS5 5/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL1782626 1.00 CES1 (0.48) CES1CES2ALDH1A1TP53CA1
SCHEMBL15374681 0.93 CES2 (0.50) CES1CES2ALDH1A1AKR1B1PPARG
SCHEMBL15374680 0.93 CES2 (0.50) CES1CES2ALDH1A1AKR1B1PPARG
SCHEMBL17156547 0.93 CES2 (0.50) CES1CES2ALDH1A1AKR1B1PPARG
SCHEMBL17156559 0.91 CES2 (0.52) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL17902986 0.91 CES2 (0.52) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL17156560 0.91 CES2 (0.52) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL1276032 0.91 CES2 (0.52) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL16706984 0.91 CES2 (0.52) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL17902976 0.91 CES2 (0.52) CES1CES2ALDH1A1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 US claimed
EP-2930179-B1 RUTHENIUM COMPLEX AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM TOSOH CORP (JP) 2018-09-05 EP disclosed
US-9349601-B2 Ruthenium complex, method for producing same, and method for producing ruthenium-containing thin film TOSOH CORPORATION (JP) 2016-05-24 US disclosed
US-20150303063-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2015-10-22 US disclosed
EP-2930179-A1 RUTHENIUM COMPLEX AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM Tosoh Corporation (JP) 2015-10-14 EP disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 CES1 1998/4885CES2 1371/4885ALDH1A1 520/4885
US-20150303063-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM OR10J3, NOX5, CYB5R3 CES1 3082/4885CES2 2426/4885ALDH1A1 1519/4885

“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.