SCHEMBL17521818

SCHEMBL17521818

Cn1c2c(c3ccc4ccccc4c31)Cc1c(c3ccc4ccccc4c3n1C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPRT1 P00492 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 2/20 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
SCHEMBL12258291 0.80 HPRT1 (0.52) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL257568 0.73 ALKBH5 (0.58) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL482904 0.72 ALDH1A1 (0.47) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL17521790 0.72 PRNP (0.45) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL17486933 0.70 CYP2A6 (0.52) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL2604387 0.70 TSHR (0.44) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL19237570 0.70 HPRT1 (0.46) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL12777513 0.69 PRNP (0.42) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL18416284 0.68 ALKBH5 (0.56) PRNPKDM4EMAPTHPRT1TSHR
SCHEMBL13226091 0.68 ATM (0.53) KDM4EMAPTHSD17B10ALDH1A1TDP1

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 1712/4885KDM4E 1037/4885MAPT 642/4885

“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