SCHEMBL2167441

SCHEMBL2167441

Brc1ccccc1-c1cc(-c2ccccc2Br)c(Br)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 3/20 0.52
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.42
DCUN1D1 Q96GG9 2/20 0.39
PBRM1 Q86U86 1/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
MAPK14 Q16539 1/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MPI P34949 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
TP53 P04637 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
SCHEMBL16193372 0.92 ALDH1A1 (0.55) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL734096 0.92 ALDH1A1 (0.55) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL18828904 0.87 ALDH1A1 (0.41) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL3830960 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL31295703 0.85 ALDH1A1 (0.67) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL358976 0.85 ALDH1A1 (0.67) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL19571031 0.84 MAPK1 (0.48) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL29052309 0.82 MAOB (0.47) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL31465796 0.82 ALDH1A1 (0.63) ALDH1A1MAPK1MAOBMAOADCUN1D1
SCHEMBL7519287 0.82 ALDH1A1 (0.63) ALDH1A1MAPK1MAOBMAOADCUN1D1

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 12 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
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed
US-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-03 US disclosed
US-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-03 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-7985885-B2 Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both TOSOH CORPORATION (JP) 2011-07-26 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
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
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-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 ALDH1A1 954/4885MAPK1 2342/4885MAOB 2930/4885
US-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME OCIAD2, OCIAD1, SLCO4C1 ALDH1A1 1873/4885MAPK1 2566/4885MAOB 608/4885

“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.