SCHEMBL19631022

SCHEMBL19631022

CCO[Si](OCC)(OCC)c1cc(N)cc(-c2cc([Si](OCC)(OCC)OCC)ccc2N)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28429409 0.77 KDM4E (0.33) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL434177 0.71 CYP3A4 (0.48) KDM4EALDH1A1MAPT
SCHEMBL30022263 0.71 CYP3A4 (0.48) KDM4EALDH1A1MAPT
SCHEMBL483106 0.69 TDP1 (0.46) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL20478197 0.67 NQO1 (0.35)
SCHEMBL315824 0.67
SCHEMBL50701 0.67 NQO1 (0.35)
SCHEMBL4354370 0.66 RAB9A (0.37) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL15067231 0.66 NQO1 (0.33)
SCHEMBL12076749 0.66 TSHR (0.50) MEN1ALDH1A1POLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334837-A1 DIAMINE COMPOUND, AND HEAT-RESISTANT RESIN OR HEAT-RESISTANT RESIN PRECURSOR USING SAME TORAY INDUSTRIES, INC. (JP) 2017-11-23 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-20170334837-A1 DIAMINE COMPOUND, AND HEAT-RESISTANT RESIN OR HEAT-RESISTANT RESIN PRECURSOR USING SAME HEATR1, HSF1, RER1 KDM4E 729/4885MEN1 3065/4885ALDH1A1 228/4885

“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.