SCHEMBL21546676

SCHEMBL21546676

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A3 P47895 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 3/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 2/20 0.33
PGR P06401 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL22760951 0.96 PGR (0.35) ELANEALDH1A3ALDH1A1CYP1A2CYP3A4
SCHEMBL21546663 0.94 ELANE (0.35) ELANEALDH1A3GRM2ALDH1A1CYP1A2
SCHEMBL21546851 0.92 ELANE (0.38) PTGER4ELANEALDH1A3GRM2ALDH1A1
SCHEMBL22760798 0.91 PTGER4 (0.36) PTGER4ELANEALDH1A3ALDH1A1CYP1A2
SCHEMBL21546859 0.91 AR (0.40) PTGER4ALDH1A3ALDH1A1CYP1A2CYP3A4
SCHEMBL22761087 0.91 ELANE (0.36) ELANEALDH1A3ALDH1A1CYP1A2CYP3A4
SCHEMBL21546668 0.91 PTGER4 (0.39) PTGER4ELANEALDH1A3ALDH1A1CYP1A2
SCHEMBL21546664 0.91 ALDH1A3 (0.37) PTGER4ELANEALDH1A3ALDH1A1CYP1A2
SCHEMBL22760963 0.89 ALDH1A3 (0.39) PTGER4ALDH1A3ALDH1A1CYP1A2CYP3A4
SCHEMBL22760952 0.88 ALDH1A3 (0.36) PTGER4ELANEALDH1A3ALDH1A1CYP1A2

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 PTGER4 1356/4885ELANE 2057/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTGER4 1356/4885ELANE 2057/4885ALDH1A3 39/4885

“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.