SCHEMBL17521804

SCHEMBL17521804

Cn1c2cc3c4ccc5cc(C#Cc6ccc7c(ccc8c9cc%10c(cc9n(C)c78)c7ccc8ccccc8c7n%10C)c6)ccc5c4n(C)c3cc2c2ccc3ccccc3c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 2/20 0.54
▸ CYP1A1 P04798 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ KMT2A Q03164 6/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ POLB P06746 2/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ PRNP P04156 1/20 0.37
▸ HCRTR1 O43613 2/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ ATM Q13315 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17521790 0.87 PRNP (0.45) CYP1B1L3MBTL1RAB9APRNPATM
SCHEMBL13562255 0.83 CYP1A1 (0.48) CYP1B1CYP1A1CYP1A2KMT2AL3MBTL1
SCHEMBL12777513 0.81 PRNP (0.42) CYP1B1CYP1A2KMT2AL3MBTL1MEN1
SCHEMBL13563048 0.81 CYP1A1 (0.46) CYP1B1CYP1A1CYP1A2KMT2AL3MBTL1
SCHEMBL17521803 0.79 RELA (0.41) CYP1B1CYP1A1CYP1A2KMT2APRNP
SCHEMBL17489606 0.79 CA1 (0.53) CYP1B1CYP1A1CYP1A2PRNPALDH1A1
SCHEMBL15848775 0.78 L3MBTL1 (0.43) CYP1B1CYP1A1CYP1A2KMT2AL3MBTL1
SCHEMBL20030847 0.77 GPR3 (0.52) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL22288270 0.77 CYP1A2 (0.78) CYP1B1CYP1A1CYP1A2GRM5ALDH1A1
SCHEMBL17521812 0.77 MAOB (0.48) KMT2APRNPHSD17B10ALKBH5FTO

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 CYP1B1 353/4885CYP1A1 1045/4885CYP1A2 1327/4885

“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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