SCHEMBL18472111

SCHEMBL18472111

C[C@@H]1CCCC(C)(C)[C@H]1/C=C/C(=O)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
UGT2B7 P16662 2/20 0.35
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL18472127 1.00 EPHX2 (0.37) EPHX2UGT2B7ALDH1A1HPGDSMN1; SMN2
SCHEMBL956616 0.89 UGT2B7 (0.36) UGT2B7MEN1KMT2A
SCHEMBL18465429 0.89 EPHX2 (0.37) EPHX2UGT2B7
SCHEMBL18472112 0.89 EPHX2 (0.37) EPHX2UGT2B7
SCHEMBL956614 0.89 UGT2B7 (0.36) UGT2B7MEN1KMT2A
SCHEMBL18472109 0.89 EPHX2 (0.37) EPHX2UGT2B7
SCHEMBL18472125 0.89 EPHX2 (0.37) EPHX2UGT2B7
SCHEMBL958792 0.89 UGT2B7 (0.36) UGT2B7MEN1KMT2A
SCHEMBL958793 0.89 UGT2B7 (0.36) UGT2B7MEN1KMT2A
SCHEMBL18472121 0.89 EPHX2 (0.37) EPHX2UGT2B7

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 3970/4885UGT2B7 3213/4885ALDH1A1 2958/4885

“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.