SCHEMBL2405937

SCHEMBL2405937

CC(=Cc1ccc(CNC(=O)OC(C)C2C3CC4CC(C3)CC2C4)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
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 1/20 0.34
ELANE P08246 4/20 0.34
CASP3 P42574 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
SCHEMBL2405940 0.81 EPHX2 (0.37) EPHX2AKR1C3CYP2C9TBXAS1CCKBR
SCHEMBL2403181 0.77 EPHX2 (0.41) EPHX2NPC1RAB9AAKR1C3CYP2C9
SCHEMBL2405652 0.75 MEN1 (0.52) EPHX2RAB9AHPGD
SCHEMBL2405650 0.75 MEN1 (0.52) EPHX2RAB9AHPGD
SCHEMBL2403178 0.70 KMT2A (0.65) EPHX2RAB9AHPGD
SCHEMBL2404962 0.69 HDAC6 (0.55) EPHX2AKR1C3TBXAS1HPGD
SCHEMBL2404960 0.69 HDAC6 (0.55) EPHX2AKR1C3TBXAS1HPGD
SCHEMBL27220957 0.66 CYP2C9 (0.56) NPC1RAB9ACYP2C9CASP3
SCHEMBL7764222 0.64 TBXAS1 (0.68) NPC1RAB9AAKR1C3TBXAS1
SCHEMBL7764218 0.64 TBXAS1 (0.68) NPC1RAB9AAKR1C3TBXAS1

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 2868/4885NPC1 2506/4885RAB9A 1885/4885

“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.