SCHEMBL3485725

SCHEMBL3485725

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
KCNQ2 O43526 1/20 0.41
F10 P00742 1/20 0.39
CNR2 P34972 4/20 0.39
NR1I2 O75469 1/20 0.38
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR35 Q9HC97 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3485248 0.95 CNR2 (0.44) PTGDR2KCNQ2F10CNR2NR1I2
SCHEMBL8165963 0.94 PTGDR2 (0.41) PTGDR2KCNQ2F10CNR2NR1I2
SCHEMBL3485915 0.90 CYP26A1 (0.46) PTGDR2KCNQ2CNR2KDM4EALDH1A1
SCHEMBL3485770 0.88 KCNQ2 (0.42) PTGDR2KCNQ2F10CNR2KDM4E
SCHEMBL3485556 0.87 CNR2 (0.52) KCNQ2F10CNR2KDM4EALDH1A1
SCHEMBL3485495 0.85 KCNQ2 (0.47) PTGDR2KCNQ2F10CNR2KDM4E
SCHEMBL3485857 0.85 PPARG (0.50) PTGDR2KCNQ2F10CNR2KDM4E
SCHEMBL3484832 0.84 KCNQ2 (0.48) PTGDR2KCNQ2F10KDM4EALDH1A1
SCHEMBL3485207 0.84 PTGDR2 (0.39) PTGDR2KCNQ2F10CNR2KDM4E
SCHEMBL3485486 0.83 PTGDR2 (0.41) PTGDR2F10CNR2SMN1; SMN2HRH4

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 3 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

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 430/4885KCNQ2 103/4885F10 3950/4885

“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.