SCHEMBL13044112

SCHEMBL13044112

Cc1oc(C(C)(C)C)cc1C(=O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
PKM P14618 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
CYP26A1 O43174 5/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL572624 0.79 L3MBTL1 (0.70) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL13692387 0.79 L3MBTL1 (0.70) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL13753404 0.78 CYP26A1 (0.60) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL573429 0.78 L3MBTL1 (0.68) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL13076637 0.78 L3MBTL1 (1.00) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL10516974 0.77 MAPT (0.53) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL4948652 0.76 L3MBTL1 (0.66) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL5808339 0.75 L3MBTL1 (0.74) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL2837643 0.75 ALDH1A1 (0.64) L3MBTL1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL13035827 0.75 L3MBTL1 (0.64) L3MBTL1PKMNPC1RAB9ASMN1; SMN2

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-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 L3MBTL1 4803/4885PKM 3905/4885NPC1 1175/4885
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 L3MBTL1 4344/4885PKM 3487/4885NPC1 3347/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 L3MBTL1 4803/4885PKM 3905/4885NPC1 1175/4885

“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.