SCHEMBL17486937

SCHEMBL17486937

Cc1cc(C)c2ccc3c4ccc5ccccc5c4n(C)c3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.55
CYP2A6 P11509 5/20 0.55
KMT2A Q03164 1/20 0.40
PRNP P04156 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAOA P21397 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
AHR P35869 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL17486933 0.83 CYP2A6 (0.52) CYP1A2CYP2A6KMT2APRNPTSHR
SCHEMBL12258291 0.82 HPRT1 (0.52) CYP1A2CYP2A6PRNPTSHRALDH1A1
SCHEMBL598859 0.81 CYP1A2 (0.63) CYP1A2CYP2A6KMT2ATSHRALDH1A1
SCHEMBL18561785 0.77 MAPT (0.50) CYP1A2CYP2A6KMT2APRNPTSHR
SCHEMBL18803913 0.76 CYP1A2 (0.42) CYP1A2CYP2A6KMT2AALDH1A1MAOA
SCHEMBL18561778 0.75 CYP2A6 (0.47) CYP1A2CYP2A6KMT2APRNPMAOA
SCHEMBL22926667 0.75 CYP2A6 (0.43) CYP1A2CYP2A6KMT2ATSHRALDH1A1
SCHEMBL23348261 0.74 CYP1A2 (0.42) CYP1A2CYP2A6KMT2ATSHRALDH1A1
SCHEMBL17521790 0.74 PRNP (0.45) CYP2A6PRNPTSHRALDH1A1MAPT
SCHEMBL21793897 0.74 ALKBH5 (0.56) CYP1A2CYP2A6KMT2AALDH1A1MAPT

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 4 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-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
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 CYP1A2 1956/4885CYP2A6 3738/4885KMT2A 219/4885

“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.