SCHEMBL9945505

SCHEMBL9945505

CCCCOCC(C)OCC(C)OCC(C)OC(=O)C1CCCCC1C(=O)OC(C)COC(C)COC(C)COCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TLR2 O60603 4/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
PLA2G2C Q5R387 2/20 0.31
NAAA Q02083 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL10040061 0.96 TDP1 (0.38) TDP1TLR2CTSLCTSBCTSK
SCHEMBL9945504 0.93 TDP1 (0.49) TDP1TLR2CTSLCTSBCTSK
SCHEMBL19386614 0.89 TDP1 (0.45) TDP1
SCHEMBL16664682 0.85 TDP1 (0.33) TDP1
SCHEMBL9945511 0.84 TP53 (0.33) CTSLCTSBCTSK
SCHEMBL487272 0.79 TDP1 (0.47) TDP1KDM4EUSP2ALDH1A1ALOX15
SCHEMBL895988 0.79 TDP1 (0.47) TDP1KDM4EUSP2ALDH1A1ALOX15
SCHEMBL503413 0.78 TDP1 (0.44) TDP1TLR2KDM4EUSP2ALDH1A1
SCHEMBL887703 0.78 TDP1 (0.44) TDP1TLR2KDM4EUSP2ALDH1A1
SCHEMBL11111869 0.78 TDP1 (0.44) TDP1TLR2KDM4EUSP2ALDH1A1

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 878/4885TLR2 2709/4885CTSL 3442/4885

“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.