SCHEMBL931301

SCHEMBL931301

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
F10 P00742 2/20 0.49
F2 P00734 1/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL930888 0.86 CYP4F2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL931171 0.86 MEN1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL11655269 0.83 CYP4F2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1248647 0.82 SMN1; SMN2 (0.65) CYP4F2CYP4A11KMT2AMEN1MAPT
SCHEMBL1989713 0.82 KMT2A (0.62) CA12CA1CA2CA7CA9
SCHEMBL930874 0.82 KMT2A (0.61) KMT2APOLBRAB9APKMNPC1
SCHEMBL110276 0.81 CYP4F2 (0.65) CA12CA1CA2CA7CA9
SCHEMBL27443684 0.81 PARP1 (0.62) KMT2AF10F2
SCHEMBL7876761 0.80 CYP4F2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1041492 0.80 L3MBTL1 (0.47) CYP4F2CYP4A11KMT2AMEN1MAPT

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 CA12 2079/4885CA1 2686/4885CA2 3750/4885

“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.