SCHEMBL3260010

SCHEMBL3260010

C=CCOC(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 6/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.48
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5693759 0.89 CYP3A4 (0.60) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL5196832 0.88 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL9292169 0.84 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL851234 0.83 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL15485816 0.83 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL7878156 0.83 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL9421944 0.83 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10MEN1
Bicarbonate SCHEMBL20838538 0.82 CYP3A4 (0.92) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL10764240 0.82 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL16371573 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850050-B1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2018-12-12 EP disclosed
US-9193651-B2 Process for the chemoselective reduction of terminally saturated carboxylic esters GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
US-20150152029-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2015-06-04 US disclosed
EP-2850050-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS Givaudan SA (CH) 2015-03-25 EP disclosed
EP-1846492-B1 IMPROVEMENTS IN OR RELATING TO PLASTICISER COMPOSITIONS EXXONMOBIL CHEM PATENTS INC (US) 2014-10-01 EP disclosed
WO-2013171302-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2013-11-21 WO disclosed
US-20100048778-A1 Plasticiser Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2010-02-25 US disclosed
US-7629413-B2 flooring; C9 to C11 alkyl benzoates are used as plasticisers for polyvinyl chloride in particular in combination with plasticisers such as di-2-ethyl hexyl phthalate, diisononyl phthalate, di-2-propyl heptyl phthalate, diisodecyl phthalate or di-2-ethyl hexyl terephthalate EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-12-08 US disclosed
US-20080234414-A1 flooring; C9 to C11 alkyl benzoates are used as plasticisers for polyvinyl chloride in particular in combination with plasticisers such as di-2-ethyl hexyl phthalate, diisononyl phthalate, di-2-propyl heptyl phthalate, diisodecyl phthalate or di-2-ethyl hexyl terephthalate EXXONMOBIL CHEMICAL COMPANY 2008-09-25 US disclosed
EP-1846492-A1 IMPROVEMENTS IN OR RELATING TO PLASTICISER COMPOSITIONS ExxonMobil Chemical Patents Inc. (US) 2007-10-24 EP disclosed
WO-2006077131-A1 IMPROVEMENTS IN OR RELATING TO PLASTICISER COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-27 WO 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-20150152029-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS ADH5, ADH1A, ADH1C CYP3A4 51/4885ALDH1A1 207/4885TSHR 1167/4885

“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.