SCHEMBL21546673

SCHEMBL21546673

Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(C#N)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4cccc(C)c4)cc3c3cc(-c4cccc(C)c4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
CYP1A2 P05177 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ELANE P08246 1/20 0.38
ALDH1A3 P47895 1/20 0.37
LRRK2 Q5S007 2/20 0.37
PGR P06401 3/20 0.37
CYP3A4 P08684 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
F11 P03951 1/20 0.37

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
SCHEMBL21546668 0.96 PTGER4 (0.39) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760791 0.93 PGR (0.37) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760965 0.93 PGR (0.41) ARCYP1A2ALDH1A1ALDH1A3PGR
SCHEMBL22760940 0.92 AR (0.40) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL21546848 0.92 ELANE (0.38) CYP1A2ALDH1A1KDM4ELMNATP53
SCHEMBL21546662 0.91 AR (0.41) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760951 0.90 PGR (0.35) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760955 0.90 PGR (0.39) CYP1A2ALDH1A1ALDH1A3PGRCYP3A4
SCHEMBL21546690 0.90 ALDH1A3 (0.42) CYP1A2ALDH1A1LMNATP53CYP2C9
SCHEMBL21546810 0.90 PGR (0.39) CYP1A2ALDH1A1ALDH1A3PGRCYP3A4

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM AR 4523/4885CYP1A2 512/4885ALDH1A1 45/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM AR 4523/4885CYP1A2 512/4885ALDH1A1 45/4885

“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.