SCHEMBL754841

SCHEMBL754841

Cc1cc2sc3cc4c(cc3c2cc1C)sc1cc2cc3ccccc3cc2cc14

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.34
CYP1A2 P05177 4/20 0.34
NQO1 P15559 1/20 0.34
ALDH1A1 P00352 8/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 2/20 0.32
NQO2 P16083 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.32
GPR3 P46089 1/20 0.32

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
SCHEMBL754864 0.96 CYP2A6 (0.36) CYP2A6CYP1A2NQO1ALDH1A1HPGD
SCHEMBL20342326 0.90 CYP2A6 (0.38) CYP2A6CYP1A2NQO1ALDH1A1HPGD
SCHEMBL754840 0.88 GPR3 (0.40) CYP2A6NQO1ALDH1A1HPGDHSD17B10
SCHEMBL13250620 0.86 GPR3 (0.42) CYP2A6NQO1ALDH1A1HPGDHSD17B10
SCHEMBL753467 0.84 GAA (0.35) ALDH1A1GAACYP3A4SMN1; SMN2TSHR
SCHEMBL753468 0.84 GAA (0.35) ALDH1A1GAACYP3A4SMN1; SMN2TSHR
SCHEMBL752667 0.84 GPR3 (0.43) CYP2A6NQO1ALDH1A1HPGDHSD17B10
SCHEMBL16024612 0.84 GPR3 (0.43) CYP2A6NQO1ALDH1A1HPGDHSD17B10
SCHEMBL753442 0.82 CYP2A6 (0.44) CYP2A6CYP1A2NQO1ALDH1A1HPGD
SCHEMBL753463 0.82 GAA (0.37) ALDH1A1HPGDHSD17B10MAPTGAA

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-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 CYP2A6 880/4885CYP1A2 340/4885NQO1 3530/4885

“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.