SCHEMBL17521805

SCHEMBL17521805

Cn1c2cc3c4ccc5cc(-c6cc7sc(-c8ccc9c(ccc%10c%11cc%12c(cc%11n(C)c9%10)c9ccc%10ccccc%10c9n%12C)c8)cc7s6)ccc5c4n(C)c3cc2c2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.42
▸ CYP1B1 Q16678 4/20 0.35
▸ CYP1A1 P04798 3/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ APP P05067 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ ALKBH5 Q6P6C2 1/20 0.31
▸ FTO Q9C0B1 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31

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
SCHEMBL17521819 0.90 PRNP (0.40) PRNPCYP1B1CYP1A1CYP1A2MAOB
SCHEMBL17521820 0.86 PRNP (0.43) PRNPCYP1B1CYP1A1NQO1NQO2
SCHEMBL17521801 0.85 PRNP (0.35) PRNPNQO1NQO2HSD17B1HSD17B2
SCHEMBL17521799 0.85 PRNP (0.35) PRNPCYP1B1CYP1A1NQO1NQO2
SCHEMBL17521798 0.84 NQO1 (0.35) PRNPCYP1B1CYP1A1NQO1NQO2
SCHEMBL17521790 0.82 PRNP (0.45) PRNPCYP1B1RAB9AKIF11ALKBH5
SCHEMBL17521806 0.79 PRNP (0.41) PRNPCYP1B1CYP1A1NQO1NQO2
SCHEMBL17521829 0.78 ESR1 (0.34) ESR1ESR2
SCHEMBL17521792 0.78 ESR1 (0.34) ESR1ESR2
SCHEMBL17521828 0.78 MAOB (0.51) CYP1A2MAOBHSD17B1HSD17B2ESR1

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 1712/4885CYP1B1 353/4885CYP1A1 1045/4885

“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.

Send feedback