SCHEMBL5975366

SCHEMBL5975366

CCCCCCCCCOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
TSHR P16473 5/20 0.74
LMNA P02545 3/20 0.74
MAPK1 P28482 3/20 0.71
CYP3A4 P08684 2/20 0.71
TP53 P04637 1/20 0.71
SCN1A P35498 2/20 0.69
SCN2A Q99250 2/20 0.69
SCN3A Q9NY46 2/20 0.69
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
CNR2 P34972 1/20 0.56
PTPN11 Q06124 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50

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
SCHEMBL5975125 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5893357 0.98 TSHR (0.73) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2137523 0.94 TSHR (0.73) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL15907632 0.91 ALDH1A1 (0.84) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL15907628 0.91 ALDH1A1 (0.84) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10487841 0.90 ALDH1A1 (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL15907643 0.90 ALDH1A1 (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
Biphenyl SCHEMBL27403396 0.89 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL15907637 0.89 TSHR (0.83) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL11082292 0.89 ALDH1A1 (0.67) ALDH1A1TSHRLMNAMAPK1CYP3A4

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896570-B2 Indane and/or tetralin ester plasticizers, and blends therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-02-20 US disclosed
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC 2018-01-25 US disclosed
US-20160280884-A1 Indane and/or Tetralin Ester Plasticizers, and Blends Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2016-09-29 US disclosed
US-9085669-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-07-21 US disclosed
US-8829093-B2 Alkyl aromatic hydroalkylation for the production of plastisizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-09-09 US disclosed
US-20140212666-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-07-31 US disclosed
US-20140213709-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTISIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-07-31 US disclosed
EP-1171536-B2 HIGH SOLIDS ACID ETCH AND MAR RESISTANT CLEAR COATING COMPOSITION DU PONT (US) 2006-09-27 EP disclosed
CN-1207360-C High solids acid etch and resistant clear coating composition DU PONT (US) 2005-06-22 CN disclosed
EP-1330502-B1 COATING COMPOSITION VALSPAR SOURCING INC (US) 2004-06-02 EP disclosed
EP-0029598-A1 An improved high solids coating composition of a low molecular weight acrylic polymer and a polyisocyanate cross-linking agent, and a substrate coated therewith E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-03 EP disclosed
EP-0029595-A1 An improved high solids coating composition of a low molecular weight glycidyl acrylic polymer and an alkylated melamine cross-linking agent, and a substrate coated therewith E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-03 EP disclosed
EP-0029596-A1 An improved high solids coating composition of a low molecular weight acrylic polymer and a nitrogen resin cross-linking agent, and a substrate coated therewith E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-03 EP disclosed
EP-0029592-A1 A coating composition based on acrylic polymer blends, articles coated therewith, and process for preparing said coated articles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-03 EP disclosed
EP-0029593-A1 A coating composition based on acrylic polymer blends, articles coated therewith, and process for preparing said coated articles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-03 EP disclosed
US-4255308-A A DISPERSION COMPRISING A BINDER OF A METHYL METHACRYLATE POLYMER, A DISPERSANT OF AN ACRYLIC TERPOLYMER, AND A GRAFT POLYMER OF THE TWO; FINISHES FOR CARS AND TRUCKS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-10 US disclosed
WO-1981000233-A1 CLEAR COAT/COLOR COAT FINISH CONTAINING AN ULTRAVIOLET LIGHT STABILIZER DU PONT 1981-02-05 WO disclosed
US-4208465-A ACRYLIC POLYMERS; WEATHERABLE ENAMELS FOR AUTOMOBILES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-06-17 US disclosed
US-4147674-A Aqueous coating composition of an acrylic-vinyl oxazoline ester polymer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-03 US disclosed
US-4020216-A Coating composition for flexible substrates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-26 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-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers ALKBH3, AHR, ADH1A ALDH1A1 207/4885TSHR 3317/4885LMNA 3513/4885

“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.