SCHEMBL930833

SCHEMBL930833

CCOC(=O)c1cccc(Oc2ccc(OCC)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
F10 P00742 2/20 0.53
F2 P00734 1/20 0.53
LTA4H P09960 1/20 0.53
POLB P06746 2/20 0.52
FABP1 P07148 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C9 P11712 1/20 0.49

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
SCHEMBL8737053 0.90 MEN1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9938318 0.89 MEN1 (0.70) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1989713 0.89 KMT2A (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9170741 0.87 MEN1 (0.58) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6829100 0.87 LMNA (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5465044 0.87 MAPT (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL930388 0.85 AKR1C3 (0.70) KMT2ANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9937715 0.85 TDP1 (0.63) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL8955466 0.84 MEN1 (0.57) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL9938937 0.84 SMN1; SMN2 (0.59) MEN1KMT2AMAPTNPC1RAB9A

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 MEN1 3312/4885KMT2A 3094/4885MAPT 1042/4885

“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.