SCHEMBL15907645

SCHEMBL15907645

CCCCCCCCCCOC(=O)c1cccc(-c2cccc(C)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.55
CNR1 P21554 1/20 0.55
ESR1 P03372 3/20 0.55
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
PTPN11 Q06124 1/20 0.52

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
SCHEMBL15902429 0.93 CNR2 (0.62) CNR2ESR1LMNAALDH1A1TSHR
SCHEMBL6057350 0.92 ESR1 (0.60) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL27924376 0.92 ESR1 (0.60) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL28106175 0.92 ESR1 (0.60) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL15907644 0.91 ALDH1A1 (0.58) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL15907639 0.91 ALDH1A1 (0.58) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL16724887 0.91 CNR2 (0.54) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL17737152 0.91 ALDH1A1 (0.58) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL15907635 0.91 CNR2 (0.54) CNR2CNR1ESR1LMNAALDH1A1
SCHEMBL12879176 0.90 ESR1 (0.57) CNR2CNR1ESR1LMNAALDH1A1

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 22 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-9815767-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-11-14 US disclosed
US-9815767-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-11-14 US disclosed
US-20160280884-A1 Indane and/or Tetralin Ester Plasticizers, and Blends Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2016-09-29 US disclosed
US-20160280884-A1 Indane and/or Tetralin Ester Plasticizers, and Blends Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2016-09-29 US disclosed
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2016-08-18 US disclosed
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2016-08-18 US disclosed
US-9321898-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-26 US disclosed
US-9321898-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-26 US disclosed
US-20150140350-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2015-05-21 US disclosed
US-20150140350-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2015-05-21 US disclosed
WO-2014117076-A9 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-04-23 WO disclosed
US-8829093-B2 Alkyl aromatic hydroalkylation for the production of plastisizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-09-09 US disclosed
US-8829093-B2 Alkyl aromatic hydroalkylation for the production of plastisizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-09-09 US disclosed
US-20140213709-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTISIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-07-31 US disclosed
WO-2014117076-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTICIZER EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-07-31 WO disclosed
US-20140212666-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-07-31 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150140350-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers ALKBH3, AHR, ADH1A CNR2 231/4885CNR1 295/4885ESR1 829/4885
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers ALKBH3, AHR, ADH1A CNR2 231/4885CNR1 295/4885ESR1 829/4885
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers ALKBH3, AHR, ADH1A CNR2 231/4885CNR1 295/4885ESR1 829/4885

“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.