SCHEMBL18472139

SCHEMBL18472139

CC(=O)N1CCN(C(=O)/C=C/C2C(C)(C)CCCC2(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL956451 0.88 UGT2B7 (0.34) EPHX2POLBPTPN2PTPN1MAPT
SCHEMBL956449 0.88 UGT2B7 (0.34) EPHX2POLBPTPN2PTPN1MAPT
SCHEMBL18472141 0.87 EPHX2 (0.41) EPHX2POLBSMN1; SMN2MAPT
SCHEMBL957349 0.86 MAPT (0.31) EPHX2MAPT
SCHEMBL957348 0.86 MAPT (0.31) EPHX2MAPT
SCHEMBL957356 0.83 RAB9A (0.40) TDP1SMN1; SMN2
SCHEMBL957354 0.83 RAB9A (0.40) TDP1SMN1; SMN2
SCHEMBL18472125 0.79 EPHX2 (0.37) EPHX2CYP1A2TDP1ITGB2ICAM1
SCHEMBL18472109 0.79 EPHX2 (0.37) EPHX2CYP1A2TDP1ITGB2ICAM1
SCHEMBL18465429 0.79 EPHX2 (0.37) EPHX2CYP1A2TDP1ITGB2ICAM1

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-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS INC. (US) 2017-02-09 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-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, UACA EPHX2 3970/4885CYP1A2 4582/4885TDP1 2463/4885

“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.