SCHEMBL14930356

SCHEMBL14930356

CCCCCc1c[nH]c(C(=O)OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
GPR84 Q9NQS5 3/20 0.41
CYP4F2 P78329 1/20 0.40

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
SCHEMBL9151658 0.98 PPARA (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18250006 0.87 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9285452 0.86 BAZ2B (0.53) PPARAPPARGGPR84CYP4F2CYP4A11
SCHEMBL20141471 0.85 GABRA1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14916685 0.85 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9150866 0.85 GPR84 (0.40) PPARAPPARGGPR84PTGS2KDM4E
SCHEMBL9147935 0.85 BAZ2B (0.51) PPARAPPARGGPR84PTGS2ALDH1A1
SCHEMBL9151583 0.85 BAZ2B (0.51) PPARAPPARGGPR84PTGS2ALDH1A1
SCHEMBL9154517 0.85 BAZ2B (0.51) PPARAPPARGGPR84PTGS2ALDH1A1
SCHEMBL1149670 0.84 GABRA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 GABRP 2824/4885GABRD 2795/4885GABRA1 2614/4885

“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.