SCHEMBL15901787

SCHEMBL15901787

CCCCC(CC)COC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TSHR P16473 3/20 0.64
MAPK1 P28482 2/20 0.64
CYP3A4 P08684 3/20 0.64
CA2 P00918 1/20 0.64
LMNA P02545 3/20 0.58
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 1/20 0.43

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
SCHEMBL108377 0.90 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL30823218 0.90 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL32670285 0.90 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL79515 0.88 ALDH1A1 (0.76) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL30825765 0.88 ALDH1A1 (0.76) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL2532026 0.87 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1CYP3A4CA2
Isophthalic Acid SCHEMBL7186961 0.87 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL24300536 0.87 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL18969812 0.87 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4CA2
Phthalic Acid SCHEMBL14917313 0.86 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4CA2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081593-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-09-25 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-9534104-B2 Plasticizer blends and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-01-03 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
EP-2948426-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTICIZERS ExxonMobil Chemical Patents Inc. (US) 2015-12-02 EP disclosed
WO-2015112285-A1 PLASTICIZER BLENDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-07-30 WO 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-20140315021-A1 Plasticizer Blends and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 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
WO-2014117076-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTICIZER EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-07-31 WO 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 (4 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 3317/4885MAPK1 4076/4885
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers ALKBH3, AHR, ADH1A ALDH1A1 207/4885TSHR 3317/4885MAPK1 4076/4885
US-10081593-B2 Alkyl aromatic hydroalkylation for the production of plasticizers ALKBH3, AHR, ADH1A ALDH1A1 207/4885TSHR 3317/4885MAPK1 4076/4885
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers ALKBH3, AHR, ADH1A ALDH1A1 207/4885TSHR 3317/4885MAPK1 4076/4885

“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.