SCHEMBL5076533

SCHEMBL5076533

BrC1(Br)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 6/20 0.38
MAOA P21397 5/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PNMT P11086 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5078420 0.79 MEN1 (0.46) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL11040986 0.77 MEN1 (0.44) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL2354190 0.74 LMNA (0.41) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL13562892 0.72 MAOB (0.48) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL8845592 0.72 MEN1 (0.42) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL23532475 0.72 MEN1 (0.37) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL10895446 0.69 MEN1 (0.42) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL11374909 0.69 OPRM1 (0.39) MEN1KMT2AMAOBMAOAOPRM1
SCHEMBL4089154 0.69 CA1 (0.48) MAOBMAOAOPRM1OPRL1GRIN1
SCHEMBL2969527 0.69 OPRM1 (0.44) MEN1KMT2AMAOBMAOAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592698-B1 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 EP disclosed
EP-1592698-B1 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 EP disclosed
US-7129367-B2 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-31 US disclosed
US-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 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-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex SQLE, C9, PHOSPHO1 MEN1 460/4885KMT2A 2194/4885MAOB 3115/4885

“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.