SCHEMBL18327642

SCHEMBL18327642

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
TSHR P16473 4/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ATM Q13315 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL18878327 0.98 ALDH1A1 (0.42) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL18878321 0.98 ALDH1A1 (0.42) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL16407281 0.98 ALDH1A1 (0.42) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19271444 0.98 ALDH1A1 (0.42) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL25823620 0.97 L3MBTL1 (0.41) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL25823529 0.97 L3MBTL1 (0.41) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL25823526 0.95 ALDH1A1 (0.44) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL18325233 0.93 CYP1A1 (0.42) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL18325338 0.93 CYP1A1 (0.42) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19271442 0.92 L3MBTL1 (0.42) L3MBTL1ALDH1A1HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11165024-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-11-02 US disclosed
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US disclosed
US-20170244043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-24 US disclosed
US-20170244043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-24 US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 L3MBTL1 4421/4885ALDH1A1 200/4885HPGD 1548/4885

“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.