SCHEMBL346730

SCHEMBL346730

COc1ccc2c(c1)CCC(C=O)=C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.54
CYP11B1 P15538 3/20 0.54
PTGS2 P35354 1/20 0.51
CYP19A1 P11511 4/20 0.48
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
BCL2 P10415 1/20 0.45
MIF P14174 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP26A1 O43174 1/20 0.42
ERN1 O75460 1/20 0.41

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
SCHEMBL10970757 0.87 GAA (0.48) CYP11B2CYP11B1PTGS2CYP19A1MAOB
SCHEMBL9220414 0.82 S1PR1 (0.40) CYP11B2CYP11B1MAOBALDH1A1MEN1
SCHEMBL9220800 0.80 CYP11B1 (0.50) CYP11B2CYP11B1PTGS2CYP19A1MAOB
SCHEMBL9215916 0.79 HRH3 (0.38) CYP11B2CYP11B1PTGS2MAOBALDH1A1
SCHEMBL2117296 0.78 ERN1 (0.35) CYP11B2CYP11B1PTGS2CYP19A1LMNA
SCHEMBL1589975 0.78 ALDH1A1 (0.44) PTGS2MAOBMAOAALDH1A1GAA
SCHEMBL9165973 0.77 MAOA (0.51) MAOBMAOA
SCHEMBL19600976 0.76 MIF (0.40) CYP19A1MAOBMAOAMIFCYP26A1
SCHEMBL29720433 0.76 MIF (0.40) CYP19A1MAOBMAOAMIFCYP26A1
SCHEMBL30715511 0.76 CYP11B2 (0.56) CYP11B2CYP11B1PTGS2CYP19A1MAOB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
EP-0524517-B1 Substituted 3,4-dihydronaphthalenes, medicament containing them and process for their preparation GRUENENTHAL GMBH (DE) 1995-06-21 EP disclosed
US-5254731-A Enzyme inhibitors; leukotriene disorders GRUENENTHAL GMBH (DE) 1993-10-19 US disclosed
EP-0524517-A1 Substituted 3,4-dihydronaphthalenes, medicament containing them and process for their preparation Grünenthal GmbH (DE) 1993-01-27 EP 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CYP11B2 1469/4885CYP11B1 1393/4885PTGS2 1179/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CYP11B2 984/4885CYP11B1 861/4885PTGS2 956/4885

“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.