SCHEMBL4375427

SCHEMBL4375427

CCc1cc(CC)cc(P(c2cc(CC)cc(CC)c2)C(c2ccccc2)C(CC)(C(C)C)C(c2ccccc2)P(c2cc(CC)cc(CC)c2)c2cc(CC)cc(CC)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
RIPK1 Q13546 1/20 0.35
PTGS2 P35354 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
CTSB P07858 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
SCHEMBL4376400 0.85 RIPK1 (0.37) RIPK1
SCHEMBL4373232 0.85 TP53 (0.38) TP53RIPK1PTGS2SIGMAR1CTSB
SCHEMBL4372778 0.85 RIPK1 (0.41) TP53RIPK1SIGMAR1
SCHEMBL4374070 0.84 TP53 (0.37) TP53RIPK1PTGS2SIGMAR1CTSB
SCHEMBL4374005 0.84 TP53 (0.39) TP53PTGS2CTSB
SCHEMBL4370615 0.82 TP53 (0.38) TP53RIPK1SIGMAR1CTSB
SCHEMBL4369990 0.82 TP53 (0.41) TP53RIPK1PTGS2CTSB
SCHEMBL4376388 0.79 RIPK1 (0.37) RIPK1
SCHEMBL4381631 0.79 TP53 (0.35) TP53
SCHEMBL15139886 0.79 BRD4 (0.34) RIPK1

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 2744/4885RIPK1 941/4885PTGS2 3024/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM TP53 4672/4885RIPK1 590/4885PTGS2 1305/4885

“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.