SCHEMBL12173205

SCHEMBL12173205

CCNc1ccc2c(-c3ccccc3C(=O)OC)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.72
▸ USP2 O75604 2/20 0.70
▸ CFTR P13569 1/20 0.70
▸ PAX8 Q06710 1/20 0.70
▸ ATM Q13315 1/20 0.70
▸ GOPC Q9HD26 1/20 0.70
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PRKDC P78527 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 2/20 0.34

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
SCHEMBL20041379 0.93 ABCB1 (0.71) ABCB1USP2CFTRPAX8ATM
SCHEMBL13881098 0.89 ABCB1 (0.74) ABCB1USP2CFTRPAX8ATM
SCHEMBL12285238 0.89 ABCB1 (0.76) ABCB1USP2CFTRPAX8ATM
SCHEMBL15006531 0.87 ABCB1 (0.74) ABCB1USP2CFTRPAX8ATM
SCHEMBL20216438 0.86 ABCB1 (0.71) ABCB1USP2CFTRPAX8ATM
SCHEMBL10167878 0.85 ABCB1 (0.79) ABCB1USP2CFTRPAX8ATM
SCHEMBL16024743 0.85 ABCB1 (0.79) ABCB1USP2CFTRPAX8ATM
SCHEMBL20216437 0.85 ABCB1 (0.70) ABCB1USP2CFTRPAX8ATM
SCHEMBL268381 0.84 ABCB1 (1.00) ABCB1USP2CFTRPAX8ATM
SCHEMBL10040697 0.84 ABCB1 (0.71) ABCB1USP2CFTRPAX8ATM

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-20220411448-A1 CHROMENE-4-ONE DERIVATIVES AS BRAIN-DERIVED NEUROTROPHIC FACTOR (BDNF) MIMETICS Floratek Pharma SA (CH) 2022-12-29 — — US disclosed
US-20110268722-A1 COMBINATION THERAPIES WITH MITOCHONDRIAL-TARGETED ANTI-TUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-03 — — US disclosed
US-20090099080-A1 MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 — — 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 (3 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-20090099080-A1 MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS HSPE1, TUFM, TK2 ABCB1 1006/4885USP2 2138/4885CFTR 3445/4885
US-20110268722-A1 COMBINATION THERAPIES WITH MITOCHONDRIAL-TARGETED ANTI-TUMOR AGENTS TFAM, AIFM1, MAVS ABCB1 819/4885USP2 1911/4885CFTR 2607/4885
US-20220411448-A1 CHROMENE-4-ONE DERIVATIVES AS BRAIN-DERIVED NEUROTROPHIC FACTOR (BDNF) MIMETICS BDNF, NTRK2, NGF ABCB1 1788/4885USP2 4760/4885CFTR 1548/4885

“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.

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