SCHEMBL930888

SCHEMBL930888

CCOC(=O)c1cccc(OC(C)CC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
F10 P00742 2/20 0.48
F2 P00734 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9700206 0.88 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL931171 0.88 MEN1 (0.52) CYP4F2CYP4A11NPSR1KMT2AMEN1
SCHEMBL931301 0.86 CA12 (0.53) CYP4F2CYP4A11KMT2AMEN1MAPT
SCHEMBL755467 0.86 SMN1; SMN2 (0.50) CYP4F2CYP4A11KMT2AMEN1L3MBTL1
SCHEMBL4857337 0.86 SMN1; SMN2 (0.50) CYP4F2CYP4A11KMT2AMEN1L3MBTL1
SCHEMBL8699083 0.86 CYP4F2 (0.46) CYP4F2CYP4A11NPSR1KMT2AMEN1
SCHEMBL11655269 0.85 CYP4F2 (0.50) CYP4F2CYP4A11NPSR1KMT2AMEN1
SCHEMBL9700210 0.84 ALDH1A1 (0.47) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL931250 0.83 KMT2A (0.59) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL31664440 0.83 CA12 (0.56) NPSR1KMT2AMEN1MAPTTDP1

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-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS SENOMYX, INC. (US) 2012-07-19 US disclosed
EP-2448944-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS Senomyx, Inc. (US) 2012-05-09 EP disclosed
WO-2011002871-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS SENOMYX, INC (US) 2011-01-06 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 (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-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS TAS2R41, TAS2R42, TAS2R40 CYP4F2 1597/4885CYP4A11 279/4885NPSR1 1063/4885

“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.