SCHEMBL4381631

SCHEMBL4381631

CCCC(CC)(C(c1ccccc1)P(c1cc(CC)cc(CC)c1)c1cc(CC)cc(CC)c1)C(c1ccccc1)P(c1cc(CC)cc(CC)c1)c1cc(CC)cc(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
KIF11 P52732 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4378617 0.94 TP53 (0.37) TP53KIF11MEN1KMT2AATM
SCHEMBL4374005 0.91 TP53 (0.39) TP53KIF11MEN1KMT2A
SCHEMBL4371872 0.86 TACR1 (0.33)
SCHEMBL4369893 0.85 RIPK1 (0.33)
SCHEMBL4370068 0.84 TP53 (0.36) TP53KIF11MEN1KMT2AATM
SCHEMBL4370176 0.82 RIPK1 (0.36) TP53KIF11MEN1KMT2AATM
SCHEMBL4370615 0.81 TP53 (0.38) TP53KIF11
SCHEMBL4369990 0.81 TP53 (0.41) TP53KIF11MEN1KMT2A
SCHEMBL4382020 0.80 HTT (0.33) MEN1KMT2A
SCHEMBL4379046 0.80 TACR1 (0.35)

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-2623509-A1 Method of producing an optically active amine compound by catalytic asymmetric hydrogenation using a ruthenium-diphosphine complex Kanto Kagaku Kabushiki Kaisha (JP) 2013-08-07 EP disclosed
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-08-01 US disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (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-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 TP53 2744/4885KIF11 1873/4885MEN1 3708/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM TP53 4672/4885KIF11 4004/4885MEN1 2420/4885

“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.