SCHEMBL344572

SCHEMBL344572

COc1ccc2c(c1)C[C@@H](C(=O)O)CC2=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.50
MAOB P27338 4/20 0.50
CYP3A4 P08684 1/20 0.50
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
DRD2 P14416 2/20 0.47
METAP1 P53582 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ABCB1 P08183 1/20 0.46
AR P10275 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HTR2B P41595 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL344573 1.00 CYP19A1 (0.50) CYP19A1MAOBCYP3A4HTR2AHTR2C
SCHEMBL7824733 0.87 HTR2A (0.45) CYP19A1HTR2AHTR2CDRD2METAP1
SCHEMBL10225789 0.83 MTNR1A (0.51) CYP19A1DRD2GAA
SCHEMBL9300629 0.82 ALDH1A1 (0.69) HTR2AHTR2CDRD2METAP1KDM4E
SCHEMBL9523559 0.79 MAOB (0.56) CYP19A1MAOBCYP3A4HTR2AHTR2C
SCHEMBL1699503 0.78 ALDH1A1 (0.55) CYP19A1MAOBCYP3A4HTR2AHTR2C
SCHEMBL31619577 0.78 ALDH1A1 (0.55) CYP19A1MAOBCYP3A4HTR2AHTR2C
SCHEMBL31293455 0.77 MAOB (0.46) MAOBHTR2AHTR2CDRD2
SCHEMBL29194896 0.77 METAP1 (0.50) CYP19A1MAOBCYP3A4HTR2AHTR2C
SCHEMBL7245995 0.77 MAOB (0.46) MAOBHTR2AHTR2CDRD2

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 6 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
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

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 CYP19A1 1065/4885MAOB 54/4885CYP3A4 3732/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CYP19A1 817/4885MAOB 36/4885CYP3A4 2476/4885

“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.