SCHEMBL21546982

SCHEMBL21546982

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PGR P06401 3/20 0.34
CYP3A4 P08684 4/20 0.34
CLK4 Q9HAZ1 2/20 0.34
AR P10275 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 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
SCHEMBL21546947 0.96 ELANE (0.36) ELANEBRD4CYP1A2ALDH1A1KDM4E
SCHEMBL21546985 0.92 ELANE (0.35) ELANEBRD4CYP1A2ALDH1A1KDM4E
SCHEMBL21414252 0.92 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21546480 0.91 ELANE (0.35) ELANEBRD4CYP1A2ALDH1A1KDM4E
SCHEMBL24737201 0.90 CYP1A2 (0.38) ELANECYP1A2ALDH1A1KDM4EHPGD
SCHEMBL21546718 0.90 MAT2A (0.38) ELANECYP1A2ALDH1A1KDM4EHPGD
SCHEMBL25658989 0.90 ALDH1A1 (0.35) ALDH1A1CHEK1
SCHEMBL21414141 0.89 PDE9A (0.35) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL22761061 0.89 ADRA2C (0.39) BRD4CYP1A2ALDH1A1PGRCYP3A4
SCHEMBL21546733 0.89 PGR (0.36) BRD4CYP1A2ALDH1A1KDM4EHPGD

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 2057/4885BRD4 2909/4885CYP1A2 512/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ELANE 2057/4885BRD4 2909/4885CYP1A2 512/4885

“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.