SCHEMBL17521822

SCHEMBL17521822

Cn1c2cc3c4ccc5cc(/C=C/c6ccccc6)ccc5c4n(C)c3cc2c2ccc3cc(/C=C/c4ccccc4)ccc3c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PLAT P00750 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ IP6K1 Q92551 2/20 0.38
▸ CYP24A1 Q07973 2/20 0.38
▸ CYP1A1 P04798 1/20 0.37

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
SCHEMBL17521803 0.91 RELA (0.41) RELAALDH1A1MAPTKDM4EPKM
SCHEMBL17521810 0.91 RELA (0.49) RELAALDH1A1MAPTNPC1RAB9A
SCHEMBL17521794 0.88 NFE2L2 (0.39) RELAALDH1A1MAPTNPC1RAB9A
SCHEMBL17521808 0.85 RELA (0.40) RELAALDH1A1MAPTPLGPLAU
SCHEMBL13563042 0.83 RELA (0.47) RELAALDH1A1MAPTNPC1RAB9A
SCHEMBL17521823 0.79 RELA (0.42) RELAALDH1A1MAPTNPC1RAB9A
SCHEMBL17521785 0.78 RELA (0.44) RELAALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL17521782 0.78 NPC1 (0.41) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL17524220 0.78 MAPT (0.39) RELAALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL17521790 0.77 PRNP (0.45) ALDH1A1MAPTRAB9AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512131-B2 Organic semiconductor material for organic transistor, and organic transistor element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-12-06 — — US disclosed
US-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-02-18 — — 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-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT SLC43A1, ALKBH3, TPR RELA 1242/4885ALDH1A1 2876/4885MAPT 642/4885

“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.

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