SCHEMBL3485486

SCHEMBL3485486

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C(F)(F)F)ccc3Cl)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
MAPT P10636 3/20 0.38
CNR2 P34972 2/20 0.38
F10 P00742 1/20 0.37
FFAR1 O14842 4/20 0.37
HRH4 Q9H3N8 1/20 0.37
AGPAT2 O15120 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
JAK2 O60674 1/20 0.36
PPARG P37231 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
SCHEMBL3485207 0.89 PTGDR2 (0.39) PTGDR2CYP26A1CYP26B1CNR2F10
SCHEMBL3485725 0.83 PTGDR2 (0.43) PTGDR2CYP26A1CYP26B1CNR2F10
SCHEMBL3485915 0.82 CYP26A1 (0.46) PTGDR2CYP26A1CYP26B1MAPTCNR2
SCHEMBL3485248 0.80 CNR2 (0.44) PTGDR2CYP26A1CYP26B1CNR2F10
SCHEMBL8165963 0.80 PTGDR2 (0.41) PTGDR2CYP26A1CYP26B1CNR2F10
SCHEMBL3484803 0.79 FFAR1 (0.43) CYP26A1CYP26B1CNR2F10FFAR1
SCHEMBL3485179 0.79 FFAR1 (0.57) CYP26A1CYP26B1MAPTCNR2F10
SCHEMBL3485770 0.78 KCNQ2 (0.42) PTGDR2CNR2F10FFAR1SMN1; SMN2
SCHEMBL3485495 0.78 KCNQ2 (0.47) PTGDR2MAPTCNR2F10FFAR1
SCHEMBL3485857 0.77 PPARG (0.50) PTGDR2CYP26A1CYP26B1MAPTCNR2

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.