SCHEMBL3485207

SCHEMBL3485207

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C(F)(F)F)ccc3F)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
FFAR1 O14842 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
CNR2 P34972 2/20 0.36
F10 P00742 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPN P05981 1/20 0.35
KCNQ2 O43526 1/20 0.35
NR3C1 P04150 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL3484803 0.91 FFAR1 (0.43) CYP26A1CYP26B1FFAR1CNR2F10
SCHEMBL3485486 0.89 PTGDR2 (0.41) PTGDR2CYP26A1CYP26B1FFAR1HRH4
SCHEMBL3485725 0.84 PTGDR2 (0.43) PTGDR2CYP26A1CYP26B1HRH4CNR2
SCHEMBL3485915 0.83 CYP26A1 (0.46) PTGDR2CYP26A1CYP26B1CNR2MEN1
SCHEMBL8165963 0.82 PTGDR2 (0.41) PTGDR2CYP26A1CYP26B1HRH4CNR2
SCHEMBL3485248 0.81 CNR2 (0.44) PTGDR2CYP26A1CYP26B1HRH4CNR2
SCHEMBL3485495 0.81 KCNQ2 (0.47) PTGDR2FFAR1CNR2F10PPARG
SCHEMBL3485770 0.81 KCNQ2 (0.42) PTGDR2FFAR1CNR2F10PPARG
SCHEMBL3485179 0.80 FFAR1 (0.57) CYP26A1CYP26B1FFAR1CNR2F10
SCHEMBL3485857 0.78 PPARG (0.50) PTGDR2CYP26A1CYP26B1CNR2F10

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 4 patents. 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
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 WO 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 PTGDR2 430/4885CYP26A1 3672/4885CYP26B1 3123/4885

“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.