SCHEMBL931352

SCHEMBL931352

CCOC(=O)c1cccc(OC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
ALOX15 P16050 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KAT6A Q92794 1/20 0.48
MAPK1 P28482 1/20 0.48
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
KCNH2 Q12809 2/20 0.47
EPHX2 P34913 1/20 0.47
ATM Q13315 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
SCHEMBL930417 1.00 MAOA (0.54) MAOAMAOBALOX15ALDH1A1HPGD
SCHEMBL931742 0.99 MAOA (0.52) MAOAMAOBALOX15ALDH1A1HPGD
SCHEMBL930973 0.96 MAOA (0.49) MAOAMAOBALOX15ALDH1A1HPGD
SCHEMBL6487958 0.86 KMT2A (0.51) ALDH1A1RAB9AMEN1KMT2AOPRK1
SCHEMBL4254407 0.85 EPHX2 (0.57) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL12093099 0.84 EPHX2 (0.49) ALOX15MEN1KMT2AOPRM1OPRK1
SCHEMBL6566141 0.83 ALDH1A1 (0.53) ALOX15ALDH1A1KMT2AMAPK1ATM
SCHEMBL3910337 0.83 SCN1A (0.58) MAOAMAOBALOX15ALDH1A1RAB9A
SCHEMBL20919714 0.83 EPHX2 (0.58) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7699337 0.83 SLC5A7 (0.55) RAB9AMEN1KMT2AOPRK1

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 3519/4885ALOX15 3869/4885

“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.