SCHEMBL21546675

SCHEMBL21546675

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5ccc(-c6cccc(C)c6)cc54)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
AR P10275 2/20 0.38
ALDH1A3 P47895 1/20 0.37
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
CYP1A2 P05177 5/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LRRK2 Q5S007 2/20 0.35
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 3/20 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
SCHEMBL21546662 0.96 AR (0.41) ELANEARALDH1A3ADORA2AADORA1
SCHEMBL22760943 0.95 ALDH1A3 (0.36) ELANEARALDH1A3ADORA2ACYP1A2
SCHEMBL21546677 0.94 ALDH1A3 (0.37) ELANEARALDH1A3ADORA2ACYP1A2
SCHEMBL21546668 0.94 PTGER4 (0.39) ELANEARALDH1A3ADORA2AADORA1
SCHEMBL22760939 0.94 ELANE (0.38) ELANEARALDH1A3ADORA2AADORA1
SCHEMBL22760961 0.94 ALDH1A3 (0.39) ALDH1A3ADORA2ACYP1A2ALDH1A1TSHR
SCHEMBL21546663 0.91 ELANE (0.35) ELANEALDH1A3ADORA2ACYP1A2ALDH1A1
SCHEMBL21546939 0.90 ALDH1A3 (0.37) ALDH1A3ADORA2ACYP1A2ALDH1A1TSHR
SCHEMBL22760964 0.90 ALDH1A3 (0.37) ALDH1A3ADORA2ACYP1A2ALDH1A1TSHR
SCHEMBL22760967 0.89 ALDH1A3 (0.39) ARALDH1A3CYP1A2ALDH1A1CYP3A4

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 ELANE 2057/4885AR 4523/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ELANE 2057/4885AR 4523/4885ALDH1A3 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.