SCHEMBL12352017

SCHEMBL12352017

CCCCOc1c(C)nc(-n2c(C)ccc2C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.38
CYP2C9 P11712 6/20 0.38
CYP3A4 P08684 5/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP19A1 P11511 6/20 0.36
CYP1A2 P05177 5/20 0.36
CYP2C19 P33261 5/20 0.36
CACNA2D1 P54289 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 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
SCHEMBL12352397 0.86 CACNA2D1 (0.39) CYP2D6CYP2C9CYP3A4KDM4ECACNA2D1
SCHEMBL15308365 0.83 CACNA2D1 (0.34) CYP2D6CYP2C9CYP3A4CACNA2D1MAPT
SCHEMBL12352035 0.78 NPC1 (0.37) CYP2D6CYP2C9CYP3A4KDM4ECYP19A1
SCHEMBL2297824 0.74 L3MBTL1 (0.46) CYP1A2NPC1RAB9AMAPTALDH1A1
SCHEMBL12352185 0.73 CACNA2D1 (0.33) CYP2D6CYP2C9CYP3A4CACNA2D1ALDH1A1
SCHEMBL12352016 0.73 DHFR (0.49) CYP2C9CYP1A2CYP2C19LMNAHTT
SCHEMBL2300142 0.72 TSHR (0.38) CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL2303798 0.72 BCHE (0.39) CYP19A1SMN1; SMN2L3MBTL1TSHRHTT
SCHEMBL12352015 0.70 LMNA (0.37) CYP2D6CYP3A4KDM4ECYP19A1CYP1A2
SCHEMBL15306028 0.69 TSHR (0.40) CYP2C9CYP3A4CYP1A2CYP2C19NPC1

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-8952025-B2 Multifunctional radical quenchers and their uses ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-10 US disclosed
US-20130267546-A1 Multifunctional Radical Quenchers and Their Uses Arizona Board of Regents, a body corporate of the State of Arizona acting for and on behalf of Ari (US) 2013-10-10 US disclosed
WO-2011103536-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE ARIZONA BOARD OF REGENTS (US) 2011-08-25 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-20130267546-A1 Multifunctional Radical Quenchers and Their Uses SQOR, GSR, GPX4 CYP2D6 386/4885CYP2C9 1018/4885CYP3A4 452/4885

“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.