SCHEMBL12123731

SCHEMBL12123731

Cc1ccc(C(=O)CCN(C)C)cc1C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.58
THRB P10828 12/20 0.58
GSR P00390 2/20 0.54
EGFR P00533 3/20 0.47

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
SCHEMBL17549644 0.86 THRA (0.56) THRATHRBGSREGFR
Hydrochloric Acid SCHEMBL3324195 0.85 THRA (0.54) THRATHRBGSREGFR
SCHEMBL17549661 0.85 THRA (0.56) THRATHRBGSREGFR
SCHEMBL9509983 0.82 GSR (0.72) THRATHRBGSREGFR
SCHEMBL17032000 0.81 ALDH1A1 (0.53)
Hydrochloric Acid SCHEMBL10353476 0.81 GSR (0.73) THRATHRBGSREGFR
SCHEMBL5458640 0.79 GSR (0.64) THRATHRBGSREGFR
SCHEMBL5565698 0.79 HSD17B3 (0.57) THRATHRB
SCHEMBL9509517 0.79 THRA (0.60) THRATHRBGSREGFR
SCHEMBL5081102 0.78 KMT2A (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 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 (5 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK THRA 1590/4885THRB 915/4885GSR 4340/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK THRA 1590/4885THRB 915/4885GSR 4340/4885
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes RNASE1, CDKL2, CDKL1 THRA 1897/4885THRB 1083/4885GSR 4318/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK THRA 1590/4885THRB 915/4885GSR 4340/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK THRA 1590/4885THRB 915/4885GSR 4340/4885

“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.