SCHEMBL21546791

SCHEMBL21546791

Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4cc(-c5cccc(C#N)c5)cc(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
AR P10275 2/20 0.38
ALDH1A3 P47895 1/20 0.37
GRIA2 P42262 2/20 0.36
GRIA4 P48058 2/20 0.36
PGR P06401 2/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL21546790 0.95 ALDH1A1 (0.37) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL21414280 0.95 KDM4A (0.39) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL22760924 0.95 SYK (0.37) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL21546819 0.93 GRIA2 (0.39) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL21546723 0.93 ADORA2A (0.36) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL21547016 0.92 MAP4K4 (0.40) CYP1A2ALDH1A1ALDH1A3GRIA2GRIA4
SCHEMBL21414279 0.91 KDM4A (0.36) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL22761058 0.90 CYP1A2 (0.41) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL21546684 0.90 MAP4K4 (0.39) CYP1A2ALDH1A1ALDH1A3GRIA2GRIA4
SCHEMBL21414288 0.90 MAP4K4 (0.39) CYP1A2ALDH1A1ALDH1A3GRIA2GRIA4

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 CYP1A2 512/4885ALDH1A1 45/4885KDM4E 4571/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CYP1A2 512/4885ALDH1A1 45/4885KDM4E 4571/4885

“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.