SCHEMBL4357793

SCHEMBL4357793

O=C(Nc1ccc(O)cc1O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.70
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CNR2 P34972 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FAAH O00519 1/20 0.51

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
SCHEMBL6567242 0.86 EPHX2 (0.67) EPHX2
SCHEMBL12932207 0.83 MAPT (0.68) EPHX2MEN1KMT2ACNR2FAAH
SCHEMBL6565549 0.82 EPHX2 (1.00) EPHX2FAAH
SCHEMBL12932185 0.79 EPHX2 (1.00) EPHX2
SCHEMBL6566257 0.78 EPHX2 (0.71) EPHX2
SCHEMBL4354504 0.78 EPHX2 (0.67) EPHX2
SCHEMBL6568488 0.77 EPHX2 (1.00) EPHX2FAAH
SCHEMBL6594387 0.76 P2RX7 (0.61) MEN1KMT2A
SCHEMBL6568669 0.75 EPHX2 (0.80) EPHX2
SCHEMBL4350925 0.75 EPHX2 (0.67) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 EPHX2 769/4885MEN1 2168/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 EPHX2 627/4885MEN1 3901/4885KMT2A 1254/4885

“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.