SCHEMBL20150397

SCHEMBL20150397

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.37
GABRA1 P14867 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ABCB1 P08183 4/20 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
SCHEMBL21090046 1.00 ABCG2 (0.37) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL20150395 0.97 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL21090403 0.97 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22243077 0.96 CYP1A2 (0.39) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL26944800 0.94 PTGER4 (0.38) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL20150385 0.94 CYP1A2 (0.39) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL21089841 0.94 CYP1A2 (0.39) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22243025 0.93 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22242956 0.93 CYP1A2 (0.37) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL20150414 0.93 KDM4E (0.39) ABCG2GABRA1GABRA5GABRA3GABRA2

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 ABCG2 2585/4885GABRA1 2614/4885GABRA5 3393/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885GABRA1 2614/4885GABRA5 3393/4885

“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.