SCHEMBL733803

SCHEMBL733803

CCCCCCCCCCCCc1cc2cc3cc(Br)c(I)cc3cc2cc1CCCCCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.37
MAPT P10636 2/20 0.37
TYR P14679 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR8 Q9NR97 6/20 0.36
LIPG Q9Y5X9 1/20 0.34
PTGS2 P35354 5/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2A P28223 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
SCHEMBL5012407 0.88 ALOX5 (0.42) ALOX5MAPTTYRMEN1TP53
SCHEMBL3110488 0.82 ALOX5 (0.48) ALOX5MAPTTYRMEN1TP53
SCHEMBL16672054 0.77 ALOX5 (0.37) ALOX5MAPTTYRMEN1TP53
SCHEMBL735361 0.76 ELANE (0.36) ALOX5MAPTTYRMEN1TP53
SCHEMBL12925073 0.76 ALOX5 (0.47) ALOX5MAPTTYRMEN1TP53
SCHEMBL725139 0.76 ALOX5 (0.47) ALOX5MAPTTYRMEN1TP53
SCHEMBL28453738 0.76 ALOX5 (0.47) ALOX5MAPTTYRMEN1TP53
SCHEMBL28460292 0.76 ALOX5 (0.47) ALOX5MAPTTYRMEN1TP53
SCHEMBL543501 0.75 ALOX5 (0.41) ALOX5MAPTTYRMEN1TP53
SCHEMBL17767410 0.74 ALOX5 (0.43) ALOX5MAPTTYRMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067782-B2 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2018-06-27 EP disclosed
EP-2067782-B1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2014-08-13 EP 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
EP-2067782-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS Tosoh Corporation (JP) 2009-06-10 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 (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 ALOX5 1701/4885MAPT 1194/4885TYR 65/4885

“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.