SCHEMBL353319

SCHEMBL353319

COC(=O)c1ccc2c(c1)CCC(=O)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
XDH P47989 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPRC P08575 1/20 0.44
TRPA1 O75762 3/20 0.44
CASP3 P42574 1/20 0.43
CRBN Q96SW2 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL354866 0.94 SRD5A1 (0.47) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL9644030 0.86 CA1 (0.55) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL28610379 0.83 SRD5A1 (0.51) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL8920996 0.83 CA1 (0.55) CA12CA9CA1CA2CA7
SCHEMBL6907035 0.83 CA1 (0.55) CA12CA9CA1CA2CA7
SCHEMBL10250009 0.80 CA12 (0.42) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL354132 0.80 CA12 (0.42) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL17978157 0.80 HSD17B1 (0.51) CA12CA9CA1CA2CA7
SCHEMBL354133 0.80 CA12 (0.42) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL2633409 0.80 ALDH1A1 (0.56) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320517-B FXR receptor agonists 轩竹生物科技有限公司 2021-08-17 CN 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
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-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed
EP-1144365-A3 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
EP-1144365-A2 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-10-17 EP disclosed
WO-2000037429-A2 INHIBITORS OF α4β1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-06-29 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 (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.