SCHEMBL2474534

SCHEMBL2474534

C=C(C)C(=O)OCCN(CCCC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
THRB P10828 1/20 0.47
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 5/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DNM1 Q05193 1/20 0.33
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL29691691 0.94 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL29691692 0.91 THRB (0.53) TSHRTHRBCA1ALDH1A1POLB
SCHEMBL8917596 0.86 THRB (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1326500 0.84 TSHR (0.57) TSHRTHRBCA12CA1CA9
SCHEMBL29174089 0.84 THRB (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL26908076 0.84 TSHR (0.53) TSHRTHRBCA12CA1CA9
SCHEMBL4982835 0.83 TSHR (0.56) TSHRTHRBCA12CA1CA9
SCHEMBL18674241 0.83 TSHR (0.65) TSHRTHRBCA12CA1CA9
SCHEMBL4346470 0.82 CA12 (0.50) CA12CA1CA9ALDH1A1MMP1
Hydrochloric Acid SCHEMBL28209960 0.80 CA12 (0.48) CA12CA1CA9ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088655-A1 COPOLYMERS CONTAINING PHOSPHORYLCHOLINE GROUPS AND METHODS OF PREPARING AND USING THE SAME Suntech Co. (KR) 2017-03-30 US disclosed
US-9546229-B2 Copolymers containing phosphorylcholine groups and methods of preparing and using the same Suntech Co. (KR) 2017-01-17 US disclosed
EP-2634198-B1 Copolymers containing phosphorylcholine groups and methods of preparing and using the same SUNTECH CO LTD (KR) 2014-09-17 EP disclosed
US-20130231400-A1 Copolymers Containing Phosphorylcholine Groups and Methods of Preparing and Using the Same DOTTER, INC. (KR) 2013-09-05 US disclosed
EP-2634198-A1 Copolymers containing phosphorylcholine groups and methods of preparing and using the same Suntech Co., Ltd. (KR) 2013-09-04 EP disclosed
US-20120164210-A1 PHOTODYNAMIC THERAPEUTIC AGENT HAVING CELL-SPECIFIC ACTIVE ACCUMULATION PROPERTIES THE UNIVERSITY OF TOKYO 2012-06-28 US disclosed
EP-2374825-A1 PHOTODYNAMIC THERAPEUTIC AGENT SHOWING ACCUMULATION OF CELL-SPECIFIC FUNCTIONS Keio University (JP) 2011-10-12 EP disclosed
EP-0947244-B1 SOLUBILIZERS, EMULSIFIERS AND DISPERSANTS NOF CORP (JP) 2004-12-29 EP disclosed
US-6503632-B1 Siloxane polymers typified by polydimethylsiloxane have excellent biocompatibility, gas permeability, etc. alkylamide groups impart strength; medical equipment NOF CORPORATION (JP) 2003-01-07 US disclosed
EP-1116740-A1 POLYDIALKYLSILOXANE / POLYAMIDE COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND VARIOUS MATERIALS NOF CORPORATION (JP) 2001-07-18 EP disclosed
US-6214957-B1 POLYMER CONTAINING HYDROPHILIC MONOMERS HAVING AMMONIO ETHYL PHOSPHATE SIDE CHAINS, POLYMER IS SOLUBLE IN SOLVENT CONTAINING WATER NOF CORPORATION (JP) 2001-04-10 US disclosed
EP-0947244-A1 SOLUBILIZERS, EMULSIFIERS AND DISPERSANTS NOF CORPORATION (JP) 1999-10-06 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-20120164210-A1 PHOTODYNAMIC THERAPEUTIC AGENT HAVING CELL-SPECIFIC ACTIVE ACCUMULATION PROPERTIES CD47, CD44, EPCAM TSHR 3669/4885THRB 4219/4885CA12 119/4885
US-20170088655-A1 COPOLYMERS CONTAINING PHOSPHORYLCHOLINE GROUPS AND METHODS OF PREPARING AND USING THE SAME PHOSPHO1, PCTP, SGMS1 TSHR 2627/4885THRB 3491/4885CA12 1353/4885

“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.