SCHEMBL13887643

SCHEMBL13887643

CC(C)(C)CCN(CCC(=O)O)Cc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
ALOX5 P09917 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARA Q07869 2/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL12788502 0.89 RIPK1 (0.46) RIPK1ALOX5TSHRNPSR1ALDH1A1
SCHEMBL14524651 0.82 CA12 (0.48) RIPK1CA12CA1CA2CA4
SCHEMBL11050213 0.77 THRA (0.55) RIPK1ALOX5TSHRNPSR1ALDH1A1
SCHEMBL11308537 0.74 ALOX5 (0.56) RIPK1ALOX5TSHRNPSR1ALDH1A1
SCHEMBL8303775 0.74 NPSR1 (0.45) RIPK1CA12CA1CA2CA4
SCHEMBL6511864 0.72 CA12 (0.47) CA12CA1CA2CA4TSHR
SCHEMBL7327735 0.71 RIPK1 (0.49) RIPK1ALOX5TSHRNPSR1ALDH1A1
SCHEMBL6511861 0.69 CA12 (0.45) CA12CA1CA2CA4TSHR
SCHEMBL2842162 0.69 TRPM8 (0.50) CA12CA1CA2CA4TSHR
SCHEMBL11067773 0.69 ALOX5 (0.49) RIPK1ALOX5TSHRNPSR1ALDH1A1

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-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE RIPK1 2266/4885CA12 1969/4885CA1 2011/4885

“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.