SCHEMBL13435458

SCHEMBL13435458

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3ccc(OCF)cc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL3485512 0.88 KCNQ2 (0.62) KCNQ2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL3484832 0.88 KCNQ2 (0.48) KCNQ2PTGDR2KDM4ERAB9ANPC1
SCHEMBL3485495 0.87 KCNQ2 (0.47) KCNQ2PTGDR2KDM4ERAB9AALDH1A1
SCHEMBL3485857 0.85 PPARG (0.50) KCNQ2PTGDR2KDM4ERAB9ANPC1
SCHEMBL3485770 0.83 KCNQ2 (0.42) KCNQ2PTGDR2KDM4ERAB9ANPC1
SCHEMBL3485556 0.82 CNR2 (0.52) KCNQ2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL3485839 0.82 CDK5 (0.46) KCNQ2PTGDR2KDM4EF10CA12
SCHEMBL3485725 0.82 PTGDR2 (0.43) KCNQ2PTGDR2KDM4ERAB9ANPC1
SCHEMBL3485915 0.79 CYP26A1 (0.46) KCNQ2PTGDR2KDM4EALDH1A1HPGD
SCHEMBL3485248 0.79 CNR2 (0.44) KCNQ2PTGDR2KDM4ERAB9AALDH1A1

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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 KCNQ2 103/4885PTGDR2 430/4885KDM4E 2869/4885

“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.