SCHEMBL20150313

SCHEMBL20150313

Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)ccc4C#N)c3c2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
AR P10275 1/20 0.33
GRM2 Q14416 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAT2A P31153 1/20 0.31
TRPA1 O75762 1/20 0.30
PRKCQ Q04759 1/20 0.30
HSP90AB1 P08238 2/20 0.30
THRB P10828 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
F2 P00734 1/20 0.30
PLAU P00749 1/20 0.30
ELANE P08246 1/20 0.30
CTRB1 P17538 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20150315 0.95 HSP90AB1 (0.32) KDM4EALDH1A1GLAGAAHTT
SCHEMBL21108387 0.91 ALDH1A1 (0.34) KDM4EALDH1A1GLAGAAHTT
SCHEMBL20150293 0.91 AR (0.41) KDM4EALDH1A1GLAGAAAR
SCHEMBL20114509 0.91 KDM4E (0.35) KDM4EALDH1A1GLAGAAHTT
SCHEMBL23798858 0.90 AR (0.38) KDM4EALDH1A1GLAGAAHTT
SCHEMBL20150330 0.90 MAT2A (0.36) KDM4EALDH1A1GLAGAACYP11B1
SCHEMBL21108028 0.89 GRM2 (0.35) KDM4EALDH1A1GLAGAAHTT
SCHEMBL19942714 0.89 PDE9A (0.33) KDM4EALDH1A1GLAGAAHTT
SCHEMBL20150324 0.89 AR (0.36) KDM4EALDH1A1GLAGAAHTT
SCHEMBL20115002 0.88 MAT2A (0.32) KDM4EALDH1A1GLAGAAHTT

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 (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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 KDM4E 2860/4885ALDH1A1 387/4885GLA 3299/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 KDM4E 2860/4885ALDH1A1 387/4885GLA 3299/4885

“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.