SCHEMBL4373232

SCHEMBL4373232

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
RIPK1 Q13546 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
SLC6A3 Q01959 2/20 0.32
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 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
SCHEMBL4374070 0.87 TP53 (0.37) TP53RIPK1PTGS2SIGMAR1SLC6A3
SCHEMBL4369990 0.84 TP53 (0.41) TP53RIPK1LMNANPC1ALDH1A1
SCHEMBL4374005 0.83 TP53 (0.39) TP53LMNANPC1ALDH1A1MAPT
SCHEMBL4370615 0.82 TP53 (0.38) TP53RIPK1LMNASIGMAR1CTSB
SCHEMBL4378296 0.81 TACR1 (0.34) RIPK1ALDH1A1SMN1; SMN2SLC6A3CACNA1F
SCHEMBL4378617 0.81 TP53 (0.37) TP53CTSBKIF11MEN1KMT2A
SCHEMBL4382038 0.80 RIPK1 (0.37) RIPK1LMNAALDH1A1SIGMAR1SLC6A3
SCHEMBL4370068 0.79 TP53 (0.36) TP53RIPK1CTSBKIF11MEN1
SCHEMBL4381631 0.78 TP53 (0.35) TP53KIF11MEN1KMT2A
SCHEMBL4369791 0.78 TP53 (0.39) TP53LMNANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867654-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL NAGOYA IND SCIENCE RES INST (JP) 2014-06-11 EP disclosed
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 941/4885LMNA 3915/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM TP53 4672/4885RIPK1 590/4885LMNA 4608/4885

“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.