SCHEMBL12470806

SCHEMBL12470806

Cc1ccc(-c2cc(Br)c(-c3ccc(C)cc3Br)cc2Br)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH2 P05091 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CA1 P00915 1/20 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
SCHEMBL24434164 0.95 ALDH1A1 (0.43) MAOBMAOAALDH1A1CYP1A2CYP2A6
SCHEMBL30185791 0.95 ALDH1A1 (0.43) MAOBMAOAALDH1A1CYP1A2CYP2A6
SCHEMBL30125142 0.83 MAOB (0.51) MAOBMAOAALDH1A1CYP1A2CYP2A6
SCHEMBL19794338 0.82 MAOA (0.38) MAOBMAOAALDH1A1CYP1A2CYP2A6
SCHEMBL16544761 0.80 ALDH1A1 (0.42) MAOBMAOAALDH1A1CYP1A2CYP2A6
SCHEMBL13407668 0.78 ALDH1A1 (0.43) MAOBMAOAALDH1A1CYP1A2CYP2A6
SCHEMBL4635889 0.77 ALDH1A1 (0.54) MAOBMAOAALDH1A1MAPK1ELANE
SCHEMBL28478846 0.77 ELANE (0.47) MAOBMAOAALDH1A1CYP2A6MAPK1
SCHEMBL12403033 0.75 PTGS2 (0.43) MAOBALDH1A1MAPK1MEN1NPC1
SCHEMBL171890 0.75 — —

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 MAOB 2930/4885MAOA 2977/4885ALDH1A1 954/4885

“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.

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