SCHEMBL710702

SCHEMBL710702

Cc1cccc(COC(=O)C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
IDO1 P14902 2/20 0.53
MAOB P27338 4/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TACR1 P25103 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAOA P21397 1/20 0.44
FFAR1 O14842 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
SCHEMBL26240902 0.89 ALDH1A1 (0.47) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL7208472 0.84 ENPP2 (0.46) KDM4EALDH1A1
SCHEMBL3763603 0.84 IDO1 (0.58) POLBMMP2MMP9MMP12IDO1
SCHEMBL27293680 0.83 POLB (0.51) POLBMMP2MMP9MMP12IDO1
SCHEMBL25455666 0.83 POLB (0.57) POLBMMP2MMP9MMP12IDO1
SCHEMBL19765220 0.83 PRKCA (0.44) POLBMAOBKDM4EALDH1A1
SCHEMBL6903259 0.82 ALDH1A1 (0.63) POLBMMP2MMP9MMP12IDO1
SCHEMBL7975207 0.81 ALDH1A1 (0.60) MMP2MMP9MMP12IDO1MAOB
SCHEMBL24235371 0.81 POLB (0.55) POLBMMP2MMP9MMP12IDO1
SCHEMBL7656159 0.81 IDO1 (0.59) POLBMMP2MMP9MMP12IDO1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065360-B1 Use of 3-methylbenzyl isobutyrate as a fragrance compound SYMRISE AG (DE) 2013-06-19 EP claimed
US-7638479-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-12-29 US claimed
US-20090131299-A1 3-Methylbenzyl-Isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-05-21 US claimed
EP-1747186-B1 Fragrant composition comprising 3-methylbenzyl-isobutyrat SYMRISE GMBH & CO KG (DE) 2009-03-11 EP claimed
US-7494967-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-02-24 US claimed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 US claimed
EP-1747186-A1 3-METHYLBENZYL-ISOBUTYRAT Symrise GmbH & Co. KG (DE) 2007-01-31 EP claimed
WO-2005110967-A1 3-METHYLBENZYL-ISOBUTYRAT SYMRISE GMBH & CO. KG (DE) 2005-11-24 WO claimed
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 US disclosed
EP-2065360-B1 Use of 3-methylbenzyl isobutyrate as a fragrance compound SYMRISE AG (DE) 2013-06-19 EP disclosed
EP-2065360-A3 3-methylbenzyl isobutyrate Symrise AG (DE) 2012-02-29 EP disclosed
US-7638479-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-12-29 US disclosed
US-7638479-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-12-29 US disclosed
US-7494967-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-02-24 US disclosed
US-7494967-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-02-24 US disclosed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 US disclosed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 US disclosed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 US disclosed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 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-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B POLB 997/4885MMP2 3459/4885MMP9 3853/4885
US-20090131299-A1 3-Methylbenzyl-Isobutyrate ABAT, GABRB3, GABBR1 POLB 1349/4885MMP2 3328/4885MMP9 3900/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B POLB 997/4885MMP2 3459/4885MMP9 3853/4885

“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.