SCHEMBL17486933

SCHEMBL17486933

Cc1ccc2c(ccc3c4ccc5ccccc5c4n(C)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP1A2 P05177 8/20 0.50
MAOA P21397 1/20 0.45
PRNP P04156 1/20 0.44
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 2/20 0.43
HPGD P15428 4/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPRT1 P00492 1/20 0.41
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 3/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL17486939 0.90 CYP1A2 (0.52) CYP2A6TDP1CYP1A2HSD17B10ALDH1A1
SCHEMBL12258291 0.88 HPRT1 (0.52) CYP2A6TDP1CYP1A2PRNPHSD17B10
SCHEMBL18561778 0.88 CYP2A6 (0.47) CYP2A6TDP1CYP1A2MAOAPRNP
SCHEMBL18561785 0.86 MAPT (0.50) CYP2A6TDP1CYP1A2MAOAPRNP
SCHEMBL12249979 0.86 ALKBH5 (0.56) CYP2A6TDP1CYP1A2HSD17B10ALDH1A1
SCHEMBL30540087 0.84 CYP2A6 (0.65) CYP2A6TDP1CYP1A2MAOAHSD17B10
SCHEMBL216959 0.84 CYP2A6 (0.65) CYP2A6TDP1CYP1A2MAOAHSD17B10
SCHEMBL13562252 0.83 CYP2A6 (0.46) CYP2A6TDP1CYP1A2MAOAHSD17B10
SCHEMBL17486937 0.83 CYP1A2 (0.55) CYP2A6TDP1CYP1A2MAOAPRNP
SCHEMBL598782 0.82 HPRT1 (0.64) CYP2A6TDP1CYP1A2MAOAHSD17B10

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-9954185-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2018-04-24 US disclosed
US-20160035984-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2016-02-04 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-20160035984-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL OR10J3, SLC43A1, SLCO2A1 CYP2A6 3738/4885TDP1 2074/4885CYP1A2 1956/4885

“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.