SCHEMBL3579630

SCHEMBL3579630

Cc1cc(C(C)C)c(C(=O)O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
EIF4A3 P38919 5/20 0.39
NOTUM Q6P988 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
HCAR3 P49019 1/20 0.35
DAO P14920 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
IL1B P01584 1/20 0.34
PTGS2 P35354 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL2403427 0.80 HCAR3 (0.43) FABP3FABP4EIF4A3HCAR2HCAR3
SCHEMBL4552206 0.75 GABRA1 (0.31) GABRA1
SCHEMBL1044787 0.74 NOTUM (0.41) NOTUMHCAR2DAO
SCHEMBL31386913 0.71 NOTUM (0.39) EIF4A3NOTUMHCAR2DAO
SCHEMBL3060385 0.71 KDM4E (0.39) NOTUMHCAR2DAOIL1BGABRA1
SCHEMBL3105456 0.71 NOTUM (0.39) NOTUMHCAR2DAO
SCHEMBL6622235 0.71 NOTUM (0.39) NOTUMHCAR2DAO
SCHEMBL20258124 0.69 LMNA (0.34) GABRA1GABRB1
SCHEMBL22066874 0.68 TSHR (0.45)
SCHEMBL19350085 0.68 ADORA1 (0.39) NOTUMHCAR2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E FABP3 4741/4885FABP4 4755/4885EIF4A3 865/4885

“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.