SCHEMBL13689285

SCHEMBL13689285

CC(C)C(=O)CCCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.42
KDM5A P29375 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM4A O75164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL23314187 0.94 KDM5A (0.46) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL13689289 0.88 HPGD (0.48) CYP1A2HPGDNPC1RAB9AHSD11B1
SCHEMBL10137778 0.86 HPGD (0.46) HPGDNPC1RAB9AHSD11B1
SCHEMBL16311972 0.81 MEN1 (0.50) CYP1A2HPGDNPC1RAB9A
SCHEMBL13282364 0.80 GNAI3 (0.47) SIGMAR1MAPT
SCHEMBL13254055 0.79 FAAH (0.42) MAPT
SCHEMBL9668398 0.78 CYP1A2 (0.52) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL8944369 0.77 CYP1A2 (0.50) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL11438858 0.77 CYP1A2 (0.50) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL22758119 0.77 MEN1 (0.53) HPGDKDM5APHF8KDM2AKDM4C

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 3 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-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 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 (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-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 CYP1A2 1356/4885HPGD 2593/4885KDM5A 3573/4885

“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.