SCHEMBL21546584

SCHEMBL21546584

Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cc4C#N)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
ALDH1A3 P47895 1/20 0.36
PGR P06401 3/20 0.35
AR P10275 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ELANE P08246 1/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
MEN1 O00255 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL22760906 0.97 ALDH1A3 (0.36) SYKALDH1A3PGRARIRAK4
SCHEMBL22761047 0.92 MCHR1 (0.37) ALDH1A3PGRARELANEBRD4
SCHEMBL21546631 0.92 ALDH1A3 (0.38) ALDH1A3PGRIRAK4BRD4CLK4
SCHEMBL22760939 0.92 ELANE (0.38) ALDH1A3PGRARELANEALDH1A1
SCHEMBL22760908 0.91 SYK (0.36) SYKALDH1A3PGRARELANE
SCHEMBL22761014 0.91 ALDH1A3 (0.36) ALDH1A3PGRIRAK4BRD4ALDH1A1
SCHEMBL22760912 0.91 ALDH1A3 (0.36) SYKALDH1A3PGRARELANE
SCHEMBL22760943 0.91 ALDH1A3 (0.36) SYKALDH1A3PGRARIRAK4
SCHEMBL22760914 0.89 ALDH1A3 (0.41) ALDH1A3PGRALDH1A1CYP1A2CYP3A4
SCHEMBL22760662 0.89 ALDH1A3 (0.39) ALDH1A3PGRIRAK4ALDH1A1CYP1A2

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 SYK 1131/4885ALDH1A3 39/4885PGR 3398/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM SYK 1131/4885ALDH1A3 39/4885PGR 3398/4885

“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.