SCHEMBL754932

SCHEMBL754932

Brc1cc(-c2cc3ccccc3cc2Br)c(Br)cc1-c1cc2ccccc2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.46
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 6/20 0.44
HIF1A Q16665 5/20 0.44
CASP1 P29466 4/20 0.44
HPGD P15428 3/20 0.44
CASP7 P55210 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
ALOX12 P18054 1/20 0.37
NQO2 P16083 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HBB P68871 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL15223489 0.97 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL12403145 0.92 CYP2A6 (0.44) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL12403143 0.91 MAOB (0.46) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL29052309 0.87 MAOB (0.47) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL12403002 0.87 CYP2A6 (0.37) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL12403141 0.87 NQO2 (0.40) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL12403037 0.87 ALDH1A1 (0.46) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL12403031 0.85 ALDH1A1 (0.45) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL29051368 0.84 CYP2A6 (0.54) CYP2A6ALDH1A1HSD17B10HIF1ACASP1
SCHEMBL31543985 0.82 ALDH1A1 (0.52) CYP2A6ALDH1A1HSD17B10HIF1ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed
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-7985885-B2 Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both TOSOH CORPORATION (JP) 2011-07-26 US disclosed
US-7985885-B2 Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both TOSOH CORPORATION (JP) 2011-07-26 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
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
EP-1867623-A1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH Tosoh Corporation (JP) 2007-12-19 EP 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 (2 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 880/4885ALDH1A1 2196/4885HSD17B10 3443/4885
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 CYP2A6 1779/4885ALDH1A1 954/4885HSD17B10 2066/4885

“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.