SCHEMBL15907997

SCHEMBL15907997

CCCCCCOC(=O)c1cccc(-c2cccc(CCCCCC)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
CNR2 P34972 1/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
ESR1 P03372 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
PTPN11 Q06124 1/20 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
SCHEMBL29012572 0.92 CYP4F2 (0.62) CYP4F2CYP4A11LMNAALDH1A1NPC1
SCHEMBL15907630 0.91 RARB (0.53) CNR2LMNAALDH1A1MAPTPTPN11
SCHEMBL15902429 0.91 CNR2 (0.62) CNR2LMNAALDH1A1NPC1MAPT
SCHEMBL28397798 0.89 CYP4F2 (0.62) CYP4F2CYP4A11LMNAALDH1A1NPC1
SCHEMBL19350853 0.87 CYP4F2 (0.62) CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL16724888 0.87 CNR2 (0.65) CNR2LMNAALDH1A1NPC1MAPT
SCHEMBL15907642 0.87 CNR2 (0.65) CNR2LMNAALDH1A1NPC1MAPT
SCHEMBL28188779 0.87 PTPN11 (0.64) CNR2LMNAALDH1A1NPC1MAPT
SCHEMBL7476555 0.86 CYP4F2 (0.55) CYP4F2CYP4A11LMNAALDH1A1NPC1
SCHEMBL5251461 0.86 CYP4F2 (0.69) CYP4F2CYP4A11CNR2LMNAALDH1A1

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
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-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-9321898-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-26 US disclosed
US-9085669-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-07-21 US disclosed
US-20150140350-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2015-05-21 US disclosed
US-20140212666-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 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 CYP4F2 75/4885CYP4A11 110/4885CNR2 231/4885
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers ALKBH3, AHR, ADH1A CYP4F2 75/4885CYP4A11 110/4885CNR2 231/4885
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers ALKBH3, AHR, ADH1A CYP4F2 75/4885CYP4A11 110/4885CNR2 231/4885

“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.