SCHEMBL1887855

SCHEMBL1887855

C=Cc1ccc(C(=O)OC(C)CC(=O)C2C(C)C=CCC2(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
USP2 O75604 1/20 0.30
ALOX15 P16050 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
SCHEMBL1886586 0.86 LMNA (0.43) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL4968063 0.85 KMT2A (0.31) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL1887608 0.79
SCHEMBL17675721 0.74 RAB9A (0.37) MEN1KMT2ALMNA
SCHEMBL1897964 0.73 ALDH1A1 (0.38) MEN1KMT2ALMNA
SCHEMBL1887766 0.73
SCHEMBL16863840 0.72
SCHEMBL17676152 0.72
SCHEMBL1177997 0.70
SCHEMBL12922588 0.69 TAS1R3 (0.47) TAS1R3TAS1R1LMNAUSP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US disclosed
US-7723286-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2010-05-25 US disclosed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US disclosed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP disclosed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US disclosed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 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 (2 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-20040220074-A1 Compounds for a controlled release of active molecules ACLY, PTGES, NOTUM MEN1 4581/4885KMT2A 4426/4885TAS1R3 1722/4885
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES ACLY, PTGES, PPOX MEN1 4691/4885KMT2A 4649/4885TAS1R3 2224/4885

“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.