SCHEMBL3485857

SCHEMBL3485857

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL3485495 0.88 KCNQ2 (0.47) PPARGRAB9AKDM4EMEN1MAPT
SCHEMBL3485556 0.88 CNR2 (0.52) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL3485512 0.87 KCNQ2 (0.62) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL3485915 0.87 CYP26A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3485770 0.86 KCNQ2 (0.42) PPARGNPC1RAB9AKDM4EKCNQ2
SCHEMBL3485839 0.85 CDK5 (0.46) KDM4EMAPTKCNQ2CNR2PTGDR2
SCHEMBL3485725 0.85 PTGDR2 (0.43) NPC1RAB9AKDM4EKMT2AKCNQ2
SCHEMBL13435458 0.85 KCNQ2 (0.48) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL3484832 0.85 KCNQ2 (0.48) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL3485210 0.84 KCNH2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 PPARG 2669/4885TUBB4A 1374/4885TUBB 862/4885

“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.