SCHEMBL10306252

SCHEMBL10306252

CCCC(CCC)CNC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL22663678 0.89 ALDH1A1 (0.50) KDM4EALDH1A1CYP3A4TSHRCA1
SCHEMBL18427578 0.89 EPHX1 (0.35) KDM4EALDH1A1CYP3A4TSHR
SCHEMBL18923159 0.88
SCHEMBL10306197 0.88
SCHEMBL17952562 0.87 KDM4E (0.38) KDM4EALDH1A1TSHR
SCHEMBL20858047 0.87 CA12 (0.30) ALDH1A1CA12CA1CA2CA7
SCHEMBL2179490 0.87 LMNA (0.44) ALDH1A1CYP3A4TSHR
SCHEMBL20056438 0.87
SCHEMBL22857636 0.85 LMNA (0.48) ALDH1A1CYP3A4TSHR
SCHEMBL21255235 0.85 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127443-A1 Methods of Making Metal Halide Perovskites FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2018-05-10 US disclosed
US-9896462-B1 Metal halide perovskites, methods, and devices FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-02-20 US disclosed
US-20180037813-A1 Organic-Inorganic Hybrid Perovskites, Devices, and Methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2018-02-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
EP-1940401-B1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-07-11 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP 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 (2 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-20180037813-A1 Organic-Inorganic Hybrid Perovskites, Devices, and Methods TYR, HCN4, BMI1 KDM4E 2715/4885ALDH1A1 166/4885CYP3A4 1162/4885
US-20180127443-A1 Methods of Making Metal Halide Perovskites SOD1, SLC6A12, HCN1 KDM4E 1786/4885ALDH1A1 722/4885CYP3A4 3305/4885

“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.