SCHEMBL16734840

SCHEMBL16734840

COc1ccc(B2OCC(C)(C)CO2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
SNCA P37840 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
AR P10275 9/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HTT P42858 1/20 0.36
PGR P06401 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
SCHEMBL2411835 0.81 AR (0.35) SNCAAR
SCHEMBL1667913 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2SNCAIMPDH2
SCHEMBL2413501 0.80 VCAM1 (0.39) SNCAAR
SCHEMBL2659673 0.80 AR (0.40) SNCAARPGR
SCHEMBL3166947 0.80 TRPV4 (0.40) SNCAARPGR
SCHEMBL8269010 0.80 SNCA (0.43) ALDH1A1USP2SNCAHTT
SCHEMBL2416029 0.78 SNCA (0.42) ALDH1A1SNCA
SCHEMBL2661280 0.75 POLB (0.37) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2649221 0.73 GABRA1 (0.35) SNCAARPGR
SCHEMBL421663 0.72 AR (0.43) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 US disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 US disclosed
EP-2876109-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Yuhan Corporation (KR) 2015-05-27 EP 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-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR ALDH1A1 3470/4885KDM4E 2827/4885USP2 3994/4885

“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.