SCHEMBL12403141

SCHEMBL12403141

Cc1cc(Br)c(-c2cc(Br)c(-c3cc4ccccc4cc3Br)cc2Br)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.40
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2A6 P11509 5/20 0.37
HIF1A Q16665 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 2/20 0.35
TP53 P04637 1/20 0.35
CASP7 P55210 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
CYP1B1 Q16678 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL754932 0.87 CYP2A6 (0.46) NQO2ALDH1A1TDP1MAOBMAOA
SCHEMBL15223489 0.84 CYP2A6 (0.48) NQO2ALDH1A1TDP1MAOBMAOA
SCHEMBL12403114 0.82 TSHR (0.37) NQO2ALDH1A1TSHRMAPK1
SCHEMBL12403076 0.81 MAOB (0.35) NQO2ALDH1A1TDP1MAOBMAOA
SCHEMBL12403145 0.80 CYP2A6 (0.44) NQO2ALDH1A1TDP1MAOBMAOA
SCHEMBL754915 0.80 CYP3A4 (0.32) ALDH1A1TDP1TSHRMAPK1
SCHEMBL12403144 0.79 CYP2A6 (0.37) ALDH1A1TDP1MAOBMAOAHSD17B10
SCHEMBL2347027 0.79 TSHR (0.38) NQO2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL12403143 0.78 MAOB (0.46) ALDH1A1TDP1MAOBMAOAHSD17B10
SCHEMBL752710 0.78 TERT (0.33) TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 NQO2 3638/4885ALDH1A1 954/4885TDP1 2453/4885

“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.