SCHEMBL2403181

SCHEMBL2403181

CC(=Cc1ccc(CNC(=O)CC2C3CC4CC(C3)CC2C4)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
HSD11B1 P28845 3/20 0.40
AKR1C3 P42330 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TBXAS1 P24557 3/20 0.38
CXCR3 P49682 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2405940 0.81 EPHX2 (0.37) EPHX2AKR1C3CYP2C9KMT2AMEN1
SCHEMBL2403178 0.79 KMT2A (0.65) EPHX2HSD11B1KMT2AMEN1RAB9A
SCHEMBL12318218 0.78 KDM4E (0.47) AKR1C3POLB
SCHEMBL2403230 0.78 HDAC1 (0.58)
SCHEMBL12318191 0.78 HDAC1 (0.58)
SCHEMBL2405937 0.77 EPHX2 (0.37) EPHX2AKR1C3CYP2C9TBXAS1RAB9A
SCHEMBL2404962 0.73 HDAC6 (0.55) EPHX2AKR1C3KMT2AMEN1TBXAS1
SCHEMBL2404960 0.73 HDAC6 (0.55) EPHX2AKR1C3KMT2AMEN1TBXAS1
SCHEMBL2405650 0.70 MEN1 (0.52) EPHX2KMT2AMEN1RAB9AHPGD
SCHEMBL2405652 0.70 MEN1 (0.52) EPHX2KMT2AMEN1RAB9AHPGD

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 2868/4885HSD11B1 112/4885AKR1C3 847/4885

“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.