SCHEMBL17678366

SCHEMBL17678366

CCCCCCc1cc(CCCCCC)c(O)c(CC(=O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.51
▸ PTGS2 P35354 6/20 0.47
▸ HAO1 Q9UJM8 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ KAT8 Q9H7Z6 2/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX5 P09917 3/20 0.42
▸ BID P55957 2/20 0.41
▸ BCL2L1 Q07817 2/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ BAK1 Q16611 2/20 0.41

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
SCHEMBL17678365 0.98 GPR84 (0.53) GPR84PTGS2HAO1CYP3A4KAT8
SCHEMBL17678362 0.91 GPR84 (0.50) GPR84PTGS2HAO1KAT8PPARA
SCHEMBL17678367 0.89 GPR84 (0.51) GPR84PTGS2HAO1CYP3A4KAT8
SCHEMBL16050765 0.88 ALDH1A1 (0.54) GPR84PTGS2CYP3A4KAT8PPARA
SCHEMBL28547589 0.87 ALDH1A1 (0.53) GPR84PTGS2CYP3A4KAT8PPARA
SCHEMBL29555599 0.86 ALDH1A1 (0.56) GPR84PTGS2CYP3A4KAT8PPARA
SCHEMBL16050413 0.86 ALDH1A1 (0.56) GPR84PTGS2CYP3A4KAT8PPARA
SCHEMBL19166230 0.85 PTGS2 (0.50) GPR84PTGS2CYP3A4KAT8PPARA
SCHEMBL28161013 0.85 ALDH1A1 (0.54) GPR84PTGS2CYP3A4KAT8PPARA
SCHEMBL10885674 0.84 PTGS2 (0.64) PTGS2CYP3A4ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes PROMETIC PHARMA SMT LIMITED (GB) 2017-07-27 — — US disclosed
WO-2016054726-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF DIABETES PROMETIC BIOSCIENCES INC. (CA) 2016-04-14 — — WO disclosed
WO-2016054728-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS PROMETIC BIOSCIENCES INC. (CA) 2016-04-14 — — 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 (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-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes GPR119, LIPC, INSR GPR84 1382/4885PTGS2 2425/4885HAO1 810/4885

“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.

Send feedback