SCHEMBL17524003

SCHEMBL17524003

c1ccc2c(c1)ccc1c3c([nH]c12)Cc1c([nH]c2c1ccc1ccccc12)C3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPRT1 P00492 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CDC25A P30304 1/20 0.38
▸ CDC25C P30307 1/20 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
SCHEMBL9697371 0.80 PARP1 (0.53) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL5466693 0.77 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL29368226 0.77 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL30914261 0.77 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL24713741 0.77 TYMS (0.37) SMN1; SMN2CYP2A6
SCHEMBL29250372 0.73 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL28758305 0.73 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL33523872 0.73 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL24714742 0.72 TYMS (0.36) SMN1; SMN2CYP2A6
SCHEMBL12219423 0.71 KIF11 (0.61) KIF11ALDH1A1KDM4EHPGDHTT

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 KIF11 3435/4885ALDH1A1 2876/4885KDM4E 1037/4885

“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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