SCHEMBL20115004

SCHEMBL20115004

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL20150309 0.97 ABCG2 (0.36) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20150305 0.93 AR (0.43) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20150325 0.92 ADORA1 (0.39) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20114663 0.91 CYP11B1 (0.39) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20150336 0.91 ALDH1A1 (0.40) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20150303 0.90 AR (0.40) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20150314 0.90 ABCG2 (0.39) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20114510 0.90 ABCG2 (0.40) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL21108018 0.89 CYP1A2 (0.37) ABCG2ALDH1A1LMNAHPGDMAPK1
SCHEMBL20150308 0.89 NPSR1 (0.37) ABCG2ALDH1A1LMNAHPGDMAPK1

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 5 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
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP 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
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 ABCG2 2585/4885ALDH1A1 387/4885LMNA 3586/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885ALDH1A1 387/4885LMNA 3586/4885

“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.