SCHEMBL14740535

SCHEMBL14740535

C=C(C)C(=O)OOP(=O)([O-])OC[N+](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TSHR P16473 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
SCHEMBL30877086 0.84 SMN1; SMN2 (0.46)
SCHEMBL30877085 0.84 SMN1; SMN2 (0.46)
Lithium Ion SCHEMBL29030328 0.80 THRB (0.37) ALDH1A1TSHR
SCHEMBL2809651 0.76 TSHR (0.33) TSHR
SCHEMBL28590726 0.72 THRB (0.36) ALDH1A1TSHR
SCHEMBL27751323 0.72 ADRA1D (0.32)
SCHEMBL4937680 0.70 TSHR (0.39) ALDH1A1TSHR
SCHEMBL28151167 0.70 CHRM5 (0.38) TSHR
SCHEMBL3683081 0.70 SMN1; SMN2 (0.47) ALDH1A1
SCHEMBL3411389 0.68 ALDH1A1 (0.46) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776446-B1 POLYMERISABLE MATERIAL VERTELLUS SPECIALTIES INC (US) 2016-10-05 EP disclosed
US-8980956-B2 Methods for producing biocompatible materials VERTELLUS SPECIALITIES INC. (US) 2015-03-17 US disclosed
US-8980972-B2 Polymerisable material VERTELLUS SPECIALTIES INC. (US) 2015-03-17 US disclosed
EP-2776446-A1 POLYMERISABLE MATERIAL Vertellus Specialties Inc. (US) 2014-09-17 EP disclosed
EP-2751153-A1 METHODS FOR PRODUCING BIOCOMPATIBLE MATERIALS Vertellus Specialties Inc. (US) 2014-07-09 EP disclosed
US-20130120708-A1 POLYMERISABLE MATERIAL VERTELLUS HOLDINGS, LLC 2013-05-16 US disclosed
WO-2013070306-A1 POLYMERISABLE MATERIAL VERTELLUS SPECIALTIES INC. (US) 2013-05-16 WO disclosed
US-20130059926-A1 METHODS FOR PRODUCING BIOCOMPATIBLE MATERIALS VERTELLUS HOLDINGS, LLC 2013-03-07 US disclosed
WO-2013033553-A1 METHODS FOR PRODUCING BIOCOMPATIBLE MATERIALS VERTELLUS SPECIALTIES INC. (US) 2013-03-07 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 (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-20130120708-A1 POLYMERISABLE MATERIAL VCL, ZW10, PARG ALDH1A1 4687/4885TSHR 4782/4885
US-20130059926-A1 METHODS FOR PRODUCING BIOCOMPATIBLE MATERIALS VCL, ECPAS, MACF1 ALDH1A1 2708/4885TSHR 4832/4885

“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.