SCHEMBL9945504

SCHEMBL9945504

CCCOCC(C)OCC(C)OCC(C)OC(=O)C1CCCCC1C(=O)OC(C)COC(C)COC(C)COCCC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
CTSK P43235 1/20 0.30
TLR2 O60603 1/20 0.30

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
SCHEMBL19386614 0.96 TDP1 (0.45) TDP1HSD17B10
SCHEMBL9945505 0.93 TDP1 (0.41) TDP1CTSLCTSBCTSKTLR2
SCHEMBL10040061 0.89 TDP1 (0.38) TDP1CTSLCTSBCTSKTLR2
SCHEMBL16664682 0.86 TDP1 (0.33) TDP1
SCHEMBL9945511 0.85 TP53 (0.33) TP53CYP3A4CTSLCTSBCTSH
SCHEMBL487418 0.77 TDP1 (0.59) TDP1HSD17B10
SCHEMBL896812 0.77 TDP1 (0.59) TDP1HSD17B10
SCHEMBL4815158 0.76 TDP1 (0.54) TDP1HSD17B10
SCHEMBL11240653 0.76 TDP1 (0.54) TDP1HSD17B10
SCHEMBL11252889 0.76 TDP1 (0.54) TDP1HSD17B10

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-9771466-B2 Glycol ether-based cyclohexanoate ester plasticizers and blends therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-09-26 US disclosed
US-9771466-B2 Glycol ether-based cyclohexanoate ester plasticizers and blends therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-09-26 US disclosed
US-9228147-B2 Glycol ether-based cyclohexanoate esters, their synthesis and methods of use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-01-05 US disclosed
US-9228147-B2 Glycol ether-based cyclohexanoate esters, their synthesis and methods of use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-01-05 US disclosed
US-20150112008-A1 Glycol Ether-Based Cyclohexanoate Ester Plasticizers and Blends Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-23 US disclosed
US-20150112008-A1 Glycol Ether-Based Cyclohexanoate Ester Plasticizers and Blends Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-23 US disclosed
WO-2012082826-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-21 WO disclosed
US-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-14 US disclosed
US-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-14 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-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE GNE, UGT8, GK TDP1 878/4885HSD17B10 234/4885TP53 1842/4885

“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.