SCHEMBL13689264

SCHEMBL13689264

CC(C)C(=O)CCCc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
NAMPT P43490 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL6302633 0.90 CYP2C19 (0.49) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL7674009 0.81 TAAR1 (0.52) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL27987587 0.80 TAAR1 (0.55) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL338927 0.79 NPC1 (0.68) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL2625199 0.79 PKM (0.54) SMN1; SMN2POLBALDH1A1RAB9ANPC1
SCHEMBL1479970 0.79 SMN1; SMN2 (0.69) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL12530502 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL2222434 0.78 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL11633870 0.77 NPC1 (0.66) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL9205353 0.77 TAAR1 (0.52) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1

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 SMN1; SMN2 3593/4885POLB 3874/4885ALDH1A1 408/4885

“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.