SCHEMBL12852201

SCHEMBL12852201

Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2PPC2N(c3c(C)cc(C)cc3C)C=CN2c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL10029426 0.77 ALDH1A1 (0.33) KDM4EALDH1A1RAPGEF4
SCHEMBL7760842 0.76 ALDH1A1 (0.33) KDM4EALDH1A1RAPGEF4
SCHEMBL17532970 0.76 ALDH1A1 (0.32) KDM4EALDH1A1RAPGEF4
SCHEMBL12852204 0.74 KDM4E (0.32) KDM4EALDH1A1RAPGEF4
SCHEMBL12852210 0.74 KDM4E (0.32) KDM4EALDH1A1RAPGEF4
SCHEMBL22825416 0.72 KDM4E (0.31) KDM4EALDH1A1RAPGEF4
SCHEMBL21580600 0.72 RAPGEF4 (0.34) KDM4EALDH1A1RAPGEF4
SCHEMBL21065371 0.72 KDM4E (0.31) KDM4EALDH1A1RAPGEF4
SCHEMBL18198913 0.72 KDM4E (0.31) KDM4EALDH1A1RAPGEF4
SCHEMBL15069120 0.72 KDM4E (0.31) KDM4EALDH1A1RAPGEF4

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-8278456-B2 Synthesis and stabilization of neutral compounds with homonuclear bonds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-10-02 US disclosed
US-8278456-B2 Synthesis and stabilization of neutral compounds with homonuclear bonds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-10-02 US disclosed
US-20100041895-A1 Synthesis and Stabilization of Neutral Compounds with Homonuclear Bonds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-02-18 US disclosed
US-20100041895-A1 Synthesis and Stabilization of Neutral Compounds with Homonuclear Bonds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-02-18 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-20100041895-A1 Synthesis and Stabilization of Neutral Compounds with Homonuclear Bonds NCL, NCLN, NES KDM4E 3953/4885ALDH1A1 4272/4885RAPGEF4 2954/4885

“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.