SCHEMBL3178976

SCHEMBL3178976

CCCCc1cccc(C/N=N/OC(=O)Oc2ccccc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
IAPP P10997 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
USP2 O75604 1/20 0.36
FAAH O00519 6/20 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
SCHEMBL3187499 0.93 USP2 (0.37) PPARGPPARAIAPPUSP2
SCHEMBL3180640 0.89 GABRA1 (0.45) USP2
SCHEMBL3174771 0.83 USP2 (0.41) USP2
SCHEMBL3173883 0.82 GABRA1 (0.48) USP2
SCHEMBL3258406 0.81 GABRA1 (0.42) ALOX5PTGS2PPARGPPARAIAPP
SCHEMBL3178982 0.80 PPARD (0.45) PPARGPPARAFAAH
SCHEMBL3190724 0.80 HPGD (0.37) MCL1USP2FAAH
SCHEMBL4332057 0.79 IAPP (0.44) ALOX5PTGS2BIDMCL1BCL2L1
SCHEMBL3258418 0.77 GABRA1 (0.55) IAPP
SCHEMBL2165406 0.77 HMGB1 (0.51) ALOX5PTGS2BIDMCL1BCL2L1

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-8952189-B2 Process for preparing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2015-02-10 US disclosed
US-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES BAYER MATERIALSCIENCE AG (DE) 2010-10-14 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-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES HDHD5, AHR, AGL ALOX5 2164/4885PTGS2 3717/4885BID 2085/4885

“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.