SCHEMBL20111019

SCHEMBL20111019

Cc1ccc2cc3c(cc2c1)sc1c2cc4cc5ccccc5cc4cc2sc31

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP1A2 P05177 6/20 0.45
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
HIF1A Q16665 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL22000098 1.00 CYP2A6 (0.53) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL12430718 0.98 CYP2A6 (0.55) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL17037120 0.93 CYP2A6 (0.52) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL10031388 0.93 CYP2A6 (0.52) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL10031363 0.93 CYP2A6 (0.52) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL12796848 0.91 CYP2A6 (0.50) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL18405844 0.89 CYP2A6 (0.48) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL17037104 0.88 CYP2A6 (0.45) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL12797653 0.88 CYP2A6 (0.46) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL12797478 0.88 CYP2A6 (0.46) CYP2A6TDP1CYP1A2MAPTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180122585-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-05-03 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-20180122585-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME SUN2, SLC9A2, SLC43A3 CYP2A6 2427/4885TDP1 3711/4885CYP1A2 1193/4885

“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.