SCHEMBL17705173

SCHEMBL17705173

CCC/C=C/C(=O)CCC(=O)/C=C/CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
PPARA Q07869 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TRPA1 O75762 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 2/20 0.37
HTR1A P08908 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL2355215 0.92 PPARG (0.50) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL2355209 0.92 PPARG (0.50) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL11375848 0.91 PPARG (0.46) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL11375852 0.91 PPARG (0.46) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL12313645 0.89 PPARG (0.44) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL16177712 0.88 PPARG (0.61) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL16177715 0.88 PPARG (0.61) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL27966758 0.88 PPARG (0.47) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL6064465 0.86 PPARG (0.70) PPARGPPARATRPA1KDM4ECYP1A2
SCHEMBL11375275 0.86 PPARG (0.46) PPARGPPARATAS1R3TAS1R1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738617-B2 Methods for producing fuels, gasoline additives, and lubricants THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-22 US disclosed
US-9738617-B2 Methods for producing fuels, gasoline additives, and lubricants THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-22 US disclosed
US-20160115143-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-28 US disclosed
US-20160115143-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-28 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-20160115143-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS DGAT1, DGAT2, GK PPARG 36/4885PPARA 188/4885TAS1R3 1751/4885

“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.