SCHEMBL11337706

SCHEMBL11337706

C=CC(=O)OCCCOC(=O)CC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.68
HPGD P15428 1/20 0.68
ALDH1A1 P00352 5/20 0.63
CYP3A4 P08684 2/20 0.63
NAAA Q02083 1/20 0.53
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
HSD17B10 Q99714 1/20 0.52
THRB P10828 2/20 0.47
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 3/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGKA P23743 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13777750 0.96 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL12777812 0.94 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL13446682 0.94 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL11682363 0.92 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL15695739 0.91 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL18232150 0.91 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL10099803 0.86 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL14550291 0.86 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL4747317 0.86 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4NAAA
SCHEMBL321925 0.85 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325217-A A kind of method for preparing aqueous solid styrene-acrylic resin 博立尔化工(扬州)有限公司 2017-11-07 CN disclosed
US-9802984-B2 Biomimetic peptide and biodegradable delivery platform for the treatment of angiogenesis- and lymphangiogenesis-dependent diseases THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-31 US disclosed
US-20160122390-A1 A BIOMIMETIC PEPTIDE AND BIODEGRADABLE DELIVERY PLATFORM FOR THE TREATMENT OF ANGIOGENESIS- AND LYMPHANGIOGENESIS-DEPENDENT DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-05 US disclosed
US-20090189120-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND ANISOTROPIC MATERIAL FUJIFILM CORPORATION (JP) 2009-07-30 US disclosed
CN-1266544-C Photosnesitive resin composition comprising quinonediazide sulfate ester compound DONGJIN SEMICHEM CO LTD (KR) 2006-07-26 CN disclosed
CN-1568444-A Photosnesitive resin composition comprising quinonediazide sulfate ester compound DONGJIN SEMICHEM CO LTD (KR) 2005-01-19 CN disclosed
EP-0000658-B1 PROCESS FOR PREPARING ETHYLENICALLY UNSATURATED ISOCYANURATES ICI AMERICAS INC. (US) 1981-09-02 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-20160122390-A1 A BIOMIMETIC PEPTIDE AND BIODEGRADABLE DELIVERY PLATFORM FOR THE TREATMENT OF ANGIOGENESIS- AND LYMPHANGIOGENESIS-DEPENDENT DISEASES VEGFA, LRRFIP1, FLT1 TSHR 2524/4885HPGD 3420/4885ALDH1A1 3688/4885
US-20090189120-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND ANISOTROPIC MATERIAL CCNA2, CCNA1, CCNB2 TSHR 3557/4885HPGD 4235/4885ALDH1A1 2881/4885

“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.