SCHEMBL9580313

SCHEMBL9580313

C=C(C)C(=O)OCCCCC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
THRB P10828 1/20 0.52
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 6/20 0.40
PAOX Q6QHF9 4/20 0.40
ACHE P22303 1/20 0.35
CYP3A4 P08684 1/20 0.34
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL28998251 0.98 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15478764 0.98 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28998257 0.98 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7520391 0.98 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL255879 0.94 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.89 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.89 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22440464 0.88 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1981523 0.87 THRB (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554404 0.87 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT

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-2628779-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-05-17 EP disclosed
EP-3130651-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-02-15 EP disclosed
WO-2017020998-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 WO disclosed
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 US disclosed
WO-2013124040-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
EP-2628779-A2 Liquid-crystalline medium Merck Patent GmbH (DE) 2013-08-21 EP disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 US disclosed
US-5264523-A Silane coupler DAIKIN INDUSTRIES, LTD. (JP) 1993-11-23 US disclosed
US-3971884-A Ethylene-vinyl acetate silicone rubber adherent laminates and method of production NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1976-07-27 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-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX TSHR 4041/4885THRB 851/4885POLB 186/4885

“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.