SCHEMBL17521801

SCHEMBL17521801

Cc1cc2cc3cc4cc5sc(-c6ccc7c(ccc8c9cc%10c(cc9n(C)c78)c7ccc8ccccc8c7n%10C)c6)cc5cc4cc3cc2s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.35
▸ NQO1 P15559 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ ESR1 P03372 3/20 0.31
▸ ESR2 Q92731 3/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 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
SCHEMBL17521792 0.95 ESR1 (0.34) ESR1ESR2
SCHEMBL17521798 0.88 NQO1 (0.35) PRNPNQO1NQO2ESR1ESR2
SCHEMBL17521805 0.85 PRNP (0.42) PRNPNQO1NQO2ESR1ESR2
SCHEMBL17521799 0.85 PRNP (0.35) PRNPNQO1NQO2ESR1ESR2
SCHEMBL17521825 0.82 ESR1 (0.33) ESR1ESR2
SCHEMBL17521813 0.81 MAOB (0.35) ESR1ESR2HSD17B1HSD17B2
SCHEMBL17521819 0.81 PRNP (0.40) PRNPHSD17B1HSD17B2
SCHEMBL17521806 0.80 PRNP (0.41) PRNPNQO1NQO2ESR1ESR2
SCHEMBL17521829 0.79 ESR1 (0.34) ESR1ESR2
SCHEMBL17521790 0.74 PRNP (0.45) PRNP

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 PRNP 1712/4885NQO1 4136/4885NQO2 4300/4885

“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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