SCHEMBL17521813

SCHEMBL17521813

Cn1c2cc3c4ccc5cc(-c6cc7cc8cc9sccc9cc8cc7s6)ccc5c4n(C)c3cc2c2ccc3cc(-c4ccccc4)ccc3c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ F9 P00740 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30

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
SCHEMBL17521825 0.94 ESR1 (0.33) ESR1ESR2DYRK1A
SCHEMBL17521798 0.93 NQO1 (0.35) ESR1ESR2HSD17B1HSD17B2
SCHEMBL17521829 0.92 ESR1 (0.34) ESR1ESR2DYRK1A
SCHEMBL17521799 0.91 PRNP (0.35) ESR1ESR2HSD17B1HSD17B2
SCHEMBL17521792 0.81 ESR1 (0.34) ESR1ESR2
SCHEMBL17521801 0.81 PRNP (0.35) ESR1ESR2HSD17B1HSD17B2
SCHEMBL17521828 0.78 MAOB (0.51) MAOBESR1ESR2LIMK1HSD17B1
SCHEMBL17521802 0.76 MAOB (0.38) MAOBESR1ESR2LIMK1HSD17B1
SCHEMBL17521805 0.76 PRNP (0.42) MAOBESR1ESR2LIMK1HSD17B1
SCHEMBL18711160 0.76 APP (0.44) ESR1ESR2HSD17B1HSD17B2CA12

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 MAOB 45/4885ESR1 1231/4885ESR2 2820/4885

“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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