SCHEMBL18844962

SCHEMBL18844962

CCCC(C)NC1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
SHBG P04278 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL172408 1.00 EPHX1 (0.42) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL7776737 1.00 EPHX1 (0.42) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL6061582 1.00 EPHX1 (0.42) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL7770562 0.98 EPHX1 (0.39) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL2411184 0.89
SCHEMBL11057849 0.88 SIGMAR1 (0.40) EPHX1SHBGEPHX2MEN1KMT2A
SCHEMBL25476883 0.86 EPHX1 (0.40) EPHX1SMN1; SMN2SHBGGAAL3MBTL1
SCHEMBL11057091 0.86 EPHX1 (0.41) EPHX1EPHX2MEN1KMT2A
SCHEMBL19593153 0.86 EPHX1 (0.41) EPHX1EPHX2MEN1KMT2A
SCHEMBL18520361 0.84 SIGMAR1 (0.44) EPHX1ALDH1A1EPHX2KMT2A

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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 EPHX1 4773/4885SMN1; SMN2 3622/4885SHBG 3691/4885

“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.