SCHEMBL16625547

SCHEMBL16625547

C=CCc1c(OC)ccc(O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
ALOX5 P09917 4/20 0.56
PTGS1 P23219 2/20 0.56
CYP3A4 P08684 1/20 0.56
AR P10275 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
GABRA1 P14867 4/20 0.54
GABRB2 P47870 4/20 0.54
KDM4E B2RXH2 3/20 0.48
HPGD P15428 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
CNR2 P34972 1/20 0.47
TRPA1 O75762 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL16863704 0.87 ALDH1A1 (0.57) ALDH1A1ALOX5PTGS1CYP3A4AR
SCHEMBL1053945 0.86 ALDH1A1 (0.56) ALDH1A1ALOX5PTGS1CYP3A4AR
SCHEMBL16150885 0.85 ALDH1A1 (0.53) ALDH1A1ALOX5PTGS1CYP3A4AR
SCHEMBL10010839 0.83 SRD5A1 (0.46) ALDH1A1ALOX5PTGS1CYP3A4AR
SCHEMBL25331583 0.79 HSD17B2 (0.41) ALDH1A1ALOX5PTGS1CYP3A4KDM4E
SCHEMBL11109920 0.79 XDH (0.42) ALDH1A1ALOX5PTGS1CYP3A4AR
SCHEMBL6935416 0.79 CYP3A4 (0.42) ALDH1A1CYP3A4KDM4EHPGDGAA
SCHEMBL2479613 0.79 ALDH1A1 (0.52) ALDH1A1ALOX5PTGS1CYP3A4AR
SCHEMBL22588947 0.75 XDH (0.39) ALDH1A1ALOX5PTGS1CYP3A4AR
SCHEMBL27438770 0.75 ALOX5 (0.49) ALDH1A1ALOX5PTGS1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518076-B2 Apparatus and process for preparing reactive lignin with high yield from plant biomass for production of fuels and chemicals WASHINGTON STATE UNIVERSITY (US) 2016-12-13 US disclosed
US-20150099868-A1 APPARATUS AND PROCESS FOR PREPARING REACTIVE LIGNIN WITH HIGH YIELD FROM PLANT BIOMASS FOR PRODUCTION OF FUELS AND CHEMICALS WASHINGTON STATE UNIVERSITY (US) 2015-04-09 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-20150099868-A1 APPARATUS AND PROCESS FOR PREPARING REACTIVE LIGNIN WITH HIGH YIELD FROM PLANT BIOMASS FOR PRODUCTION OF FUELS AND CHEMICALS HAAO, HAO2, HAO1 ALDH1A1 1709/4885ALOX5 22/4885PTGS1 914/4885

“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.