SCHEMBL17035017

SCHEMBL17035017

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5cccnc5)cc(-c5cc6c(-c7ccccc7)nc7ccccc7c6c6ccccc56)c4)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.44
DHODH Q02127 1/20 0.43
ATM Q13315 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GBA1 P04062 5/20 0.41
PDE5A O76074 2/20 0.40
CYP2A6 P11509 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL17035004 0.98 CYP1A2 (0.45) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17035029 0.94 MAPT (0.46) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17034888 0.92 CYP11B1 (0.49) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17035023 0.92 CYP11B1 (0.48) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17034960 0.92 CYP11B1 (0.48) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17035009 0.92 CYP11B1 (0.48) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17035016 0.91 MEN1 (0.50) MEN1KMT2AALDH1A1DHODHATM
SCHEMBL17034961 0.90 DHODH (0.49) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17035014 0.89 ALDH1A1 (0.42) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL17034998 0.89 MEN1 (0.48) MEN1KMT2AALDH1A1DHODHATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US 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 (1 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP1A2 1306/4885CYP3A4 968/4885CLK4 400/4885

“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.