SCHEMBL5082418

SCHEMBL5082418

CC1(P(c2ccccc2)c2ccccc2)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
DRD1 P21728 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PAX8 Q06710 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 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
SCHEMBL377365 0.78 MEN1 (0.39) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL5082415 0.78 MEN1 (0.39) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL377463 0.72 MEN1 (0.35) MEN1KMT2AOPRL1
SCHEMBL12337335 0.72 CYP3A4 (0.41) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL9541911 0.70 MEN1 (0.46) MEN1KMT2AMAOAMAOBGRIN2D
SCHEMBL5078420 0.70 MEN1 (0.46) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL3310454 0.70 MEN1 (0.46) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL5080028 0.70 MEN1 (0.46) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL11040986 0.68 MEN1 (0.44) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL12313488 0.67 CYP3A4 (0.36) CYP3A4TDP1DRD1MAOAMAOB

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-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
EP-1592698-A2 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF Takasago International Corporation (JP) 2005-11-09 EP disclosed
WO-2004072088-A2 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-26 WO 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 2194/4885OPRM1 2706/4885

“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.