SCHEMBL930973

SCHEMBL930973

CCOC(=O)c1cccc(OC2CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ATM Q13315 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KAT6A Q92794 1/20 0.46
OPRK1 P41145 2/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GALR1 P47211 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL931742 0.97 MAOA (0.52) MAOAMAOBATMCYP4F2CYP4A11
SCHEMBL931352 0.96 MAOA (0.54) MAOAMAOBATMCYP4F2CYP4A11
SCHEMBL930417 0.96 MAOA (0.54) MAOAMAOBATMCYP4F2CYP4A11
SCHEMBL6487958 0.87 KMT2A (0.51) ATMALDH1A1OPRK1MEN1KMT2A
SCHEMBL12093099 0.85 EPHX2 (0.49) ATMCYP4F2CYP4A11EPHX2OPRK1
SCHEMBL7699337 0.84 SLC5A7 (0.55) OPRK1MEN1KMT2ARAB9A
SCHEMBL26933282 0.84 F10 (0.49) MAOACYP4F2CYP4A11OPRK1MEN1
SCHEMBL26933289 0.84 F10 (0.49) MAOACYP4F2CYP4A11OPRK1MEN1
SCHEMBL6487966 0.83 PDE4D (0.45) ATMCYP4F2CYP4A11MEN1MAPT
Hydrochloric Acid SCHEMBL7698306 0.83 SLC5A7 (0.54) OPRK1MEN1KMT2ARAB9A

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 MAOA 3025/4885MAOB 3519/4885ATM 739/4885

“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.