SCHEMBL754840

SCHEMBL754840

c1ccc2cc3cc4c(cc3cc2c1)sc1cc2c(cc14)sc1cc3cc4ccccc4cc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
CYP1B1 Q16678 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
NQO1 P15559 2/20 0.37
GAA P10253 3/20 0.35
KDM4E B2RXH2 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
SCHEMBL13250620 0.98 GPR3 (0.42) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL16024612 0.95 GPR3 (0.43) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL752667 0.95 GPR3 (0.43) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL30888167 0.93 GPR3 (0.46) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL11990859 0.93 GPR3 (0.46) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL2336137 0.89 GPR3 (0.58) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL754841 0.88 CYP2A6 (0.34) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL23916959 0.86 GPR3 (0.61) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL17228832 0.86 GPR3 (0.61) GPR3ALDH1A1HIF1AHSD17B10TDP1
SCHEMBL753442 0.85 CYP2A6 (0.44) GPR3ALDH1A1TDP1MAPTHPGD

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 GPR3 3625/4885ALDH1A1 2196/4885HIF1A 1501/4885

“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.