SCHEMBL15907628

SCHEMBL15907628

CCCCCCOC(=O)c1ccccc1-c1ccccc1C(=O)OCCCCCC

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.84
TSHR P16473 4/20 0.84
LMNA P02545 2/20 0.84
CYP3A4 P08684 2/20 0.81
MAPK1 P28482 2/20 0.81
TP53 P04637 1/20 0.81
HSD17B10 Q99714 2/20 0.72
KDM4E B2RXH2 2/20 0.72
POLB P06746 1/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
TDP1 Q9NUW8 2/20 0.72
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
PTPN11 Q06124 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL15907632 1.00 ALDH1A1 (0.84) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15907637 0.98 TSHR (0.83) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28254633 0.94 ALDH1A1 (0.74) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27506011 0.93 ALDH1A1 (0.90) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL14557460 0.93 TSHR (0.83) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5072881 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL81945 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6245568 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7219181 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2527136 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1

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 13 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
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-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

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 ALDH1A1 207/4885TSHR 3317/4885LMNA 3513/4885
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers ALKBH3, AHR, ADH1A ALDH1A1 207/4885TSHR 3317/4885LMNA 3513/4885
US-20160237022-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.