SCHEMBL931742

SCHEMBL931742

CCOC(=O)c1cccc(OC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KAT6A Q92794 2/20 0.49
ALOX15 P16050 2/20 0.49
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
OPRK1 P41145 1/20 0.46
MAPK1 P28482 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
SCHEMBL931352 0.99 MAOA (0.54) MAOAMAOBALDH1A1KAT6AALOX15
SCHEMBL930417 0.99 MAOA (0.54) MAOAMAOBALDH1A1KAT6AALOX15
SCHEMBL930973 0.97 MAOA (0.49) MAOAMAOBALDH1A1KAT6AALOX15
SCHEMBL6487958 0.87 KMT2A (0.51) ALDH1A1RAB9AMEN1KMT2AATM
SCHEMBL12093099 0.85 EPHX2 (0.49) ALOX15EPHX2MEN1KMT2AATM
SCHEMBL20919714 0.84 EPHX2 (0.58) ALDH1A1KAT6ARAB9ASMN1; SMN2EPHX2
SCHEMBL7699337 0.84 SLC5A7 (0.55) RAB9AMEN1KMT2AOPRK1
SCHEMBL26933282 0.84 F10 (0.49) MAOAMEN1KMT2ACYP4F2CYP4A11
SCHEMBL26933289 0.84 F10 (0.49) MAOAMEN1KMT2ACYP4F2CYP4A11
SCHEMBL6487966 0.83 PDE4D (0.45) MEN1KMT2AATMCYP4F2CYP4A11

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 12 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
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
CN-1178932-C Amide derivatives 2004-12-08 CN disclosed
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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 (3 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B MAOA 1506/4885MAOB 1262/4885ALDH1A1 269/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B MAOA 1506/4885MAOB 1262/4885ALDH1A1 269/4885
US-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS TAS2R41, TAS2R42, TAS2R40 MAOA 3025/4885MAOB 3519/4885ALDH1A1 1001/4885

“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.