SCHEMBL528267

SCHEMBL528267

CC(C)(CCC1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.39
EPHX1 P07099 2/20 0.38
ACLY P53396 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
HSD11B1 P28845 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
Methylamine SCHEMBL27794790 0.94 CYP2D6 (0.38) HPGDCYP1A2CYP2D6EPHX1ACLY
SCHEMBL528248 0.88 CYP1A2 (0.47) HPGDCYP1A2EPHX1ACLYACACB
SCHEMBL4922045 0.82 CNR2 (0.33) HPGDACLYACACBACACA
SCHEMBL4922039 0.82 CNR2 (0.33) HPGDACLYACACBACACA
SCHEMBL4922035 0.82 CNR2 (0.33) HPGDACLYACACBACACA
SCHEMBL27796569 0.82 GABRA5 (0.47) ACLYACACBACACA
SCHEMBL25826250 0.81 GRM2 (0.46) HPGDCYP1A2CYP2D6EPHX1GRM2
SCHEMBL4141844 0.81 GRM2 (0.46) HPGDCYP1A2CYP2D6EPHX1GRM2
SCHEMBL27620522 0.80 GGT1 (0.46) HPGDCYP1A2CYP2D6EPHX1GRM2
SCHEMBL1682650 0.78 GRM2 (0.43) HPGDCYP1A2CYP2D6EPHX1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248762-A1 Malodor counteractant compositions MCGEE THOMAS (US) 2004-12-09 US claimed
EP-1345883-A1 MALODOR COUNTERACTANT COMPOSITIONS Givaudan SA (CH) 2003-09-24 EP claimed
US-20030008787-A1 Malodor counteractant compositions GIVAUDAN SA 2003-01-09 US claimed
WO-2002051788-A1 MALODOR COUNTERACTANT COMPOSITIONS GIVAUDAN SA (CH) 2002-07-04 WO claimed
US-9145570-B2 Enzymatic acylation method using an acylphosphonate donor PCAS BIOSOLUTION (FR) 2015-09-29 US disclosed
EP-2598644-A1 ENZYMATIC ACYLATION METHOD USING AN ACYLPHOSPHONATE DONOR PCAS Biosolution (FR) 2013-06-05 EP disclosed
US-20130130337-A1 Enzymatic Acylation Method Using an Acylphosphonate Donor PCAS BIOSOLUTION (FR) 2013-05-23 US disclosed
WO-2012013765-A1 ENZYMATIC ACYLATION METHOD USING AN ACYLPHOSPHONATE DONOR PCAS BIOSOLUTION (FR) 2012-02-02 WO disclosed
EP-1345883-B1 MALODOR COUNTERACTANT COMPOSITIONS GIVAUDAN SA (CH) 2010-02-17 EP disclosed
US-7332462-B2 Malodor counteractant compounds GIVAUDAN SA (CH) 2008-02-19 US disclosed
US-7288507-B2 Malodor counteractant compounds GIVAUDAN SA (CH) 2007-10-30 US disclosed
US-20070116655-A1 MALODOR COUNTERACTANT COMPOUNDS GIVAUDAN SA (CH) 2007-05-24 US disclosed
US-20060034789-A1 Malodor counteractant compounds GIVAUDAN SA (CH) 2006-02-16 US disclosed
US-20040248762-A1 Malodor counteractant compositions MCGEE THOMAS (US) 2004-12-09 US disclosed
EP-1345883-A1 MALODOR COUNTERACTANT COMPOSITIONS Givaudan SA (CH) 2003-09-24 EP disclosed
US-6610648-B2 Alkyl 3-phenylprop-2-enoic acid ester derivatives GIVAUDAN SA (CH) 2003-08-26 US disclosed
US-20030008787-A1 Malodor counteractant compositions GIVAUDAN SA 2003-01-09 US disclosed
WO-2002051788-A1 MALODOR COUNTERACTANT COMPOSITIONS GIVAUDAN SA (CH) 2002-07-04 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 (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-20040248762-A1 Malodor counteractant compositions MAL2, OPRM1, OR51E2 HPGD 3617/4885CYP1A2 964/4885CYP2D6 1487/4885
US-20060034789-A1 Malodor counteractant compounds MAL2, OR51E2, OPRM1 HPGD 3591/4885CYP1A2 576/4885CYP2D6 1089/4885
US-20070116655-A1 MALODOR COUNTERACTANT COMPOUNDS MAL2, OR51E2, OPRM1 HPGD 3681/4885CYP1A2 666/4885CYP2D6 1159/4885

“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.