SCHEMBL354866

SCHEMBL354866

COC(=O)c1ccc2c(c1)CC(=O)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
TRPA1 O75762 3/20 0.44
CRBN Q96SW2 1/20 0.43
CYP2A6 P11509 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL353319 0.94 SRD5A1 (0.47) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL9644030 0.86 CA1 (0.55) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL30583360 0.83 SRD5A1 (0.51) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL31337627 0.83 SRD5A1 (0.51) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL8920996 0.83 CA1 (0.55) CA12CA9CA1CA2CA7
SCHEMBL6907035 0.83 CA1 (0.55) CA12CA9CA1CA2CA7
SCHEMBL17978157 0.80 HSD17B1 (0.51) CA12CA9CA1CA2CA7
SCHEMBL2633409 0.80 ALDH1A1 (0.56) CA12CA9CA1CA2CA7
SCHEMBL31544703 0.80 ALDH1A1 (0.56) CA12CA9CA1CA2CA7
SCHEMBL883530 0.80 ALDH1A1 (0.61) CA12CA9CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SRD5A1 1128/4885SRD5A2 1259/4885CA12 1553/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 SRD5A1 1078/4885SRD5A2 1298/4885CA12 2004/4885

“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.