SCHEMBL14968394

SCHEMBL14968394

CC(=O)O[C@@H]1C[C@](OC(C)=O)(C(C)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 1/20 0.33
CHRM4 P08173 2/20 0.31
CHRM3 P20309 2/20 0.31

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
SCHEMBL21751436 0.87 PRKD3 (0.44) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL789290 0.87 PRKD3 (0.44) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL15870316 0.87 PRKD3 (0.44) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL9958086 0.86 CHRM2 (0.33) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL19696795 0.79 CHRM2 (0.34) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL789291 0.73 METAP2 (0.30) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL17279340 0.70 CHRM2 (0.33) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL21771475 0.68 CHRM2 (0.33) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL14611589 0.68 ALDH1A1 (0.33)
SCHEMBL24145355 0.66 POLB (0.38) CHRM2CHRM1MEN1CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616431-B1 NOVEL CATIONIC AMPHIPHILES WITH MANNOSE-MIMICKING HEAD-GROUPS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-11-09 EP disclosed
US-8703824-B2 Cationic amphiphiles with mannose-mimicking head-groups and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-04-22 US disclosed
US-20130129758-A1 NOVEL CATIONIC AMPHIPHILES WITH MANNOSE-MIMICKING HEAD-GROUPS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 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-20130129758-A1 NOVEL CATIONIC AMPHIPHILES WITH MANNOSE-MIMICKING HEAD-GROUPS AND A PROCESS FOR THE PREPARATION THEREOF M6PR, CD14, MICA CHRM2 234/4885CHRM1 178/4885MEN1 267/4885

“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.