SCHEMBL2405940

SCHEMBL2405940

CC(=Cc1ccc(CNC(=O)OCCC2C3CC4CC(C3)CC2C4)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
AKR1C3 P42330 1/20 0.35
CYP2C9 P11712 1/20 0.35
TBXAS1 P24557 3/20 0.35
CCKBR P32239 1/20 0.35
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2403181 0.81 EPHX2 (0.41) EPHX2AKR1C3CYP2C9TBXAS1HPGD
SCHEMBL2405935 0.81 ESR1 (0.43) AKR1C3
SCHEMBL2405650 0.81 MEN1 (0.52) EPHX2HPGDMEN1KMT2A
SCHEMBL2405652 0.81 MEN1 (0.52) EPHX2HPGDMEN1KMT2A
SCHEMBL2405937 0.81 EPHX2 (0.37) EPHX2AKR1C3CYP2C9TBXAS1CCKBR
SCHEMBL2403178 0.70 KMT2A (0.65) EPHX2HPGDMEN1KMT2A
SCHEMBL2404960 0.69 HDAC6 (0.55) EPHX2AKR1C3TBXAS1HPGDMEN1
SCHEMBL2404962 0.69 HDAC6 (0.55) EPHX2AKR1C3TBXAS1HPGDMEN1
SCHEMBL25393785 0.65 CYP2C9 (0.55) CYP2C9MEN1KMT2A
SCHEMBL7764222 0.64 TBXAS1 (0.68) AKR1C3TBXAS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 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 (1 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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 EPHX2 2868/4885AKR1C3 847/4885CYP2C9 1843/4885

“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.