SCHEMBL18844901

SCHEMBL18844901

CCCCCCCC(CCCCCCC)NCCNC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
LMNA P02545 1/20 0.38
S1PR2 O95136 9/20 0.37
S1PR1 P21453 9/20 0.37
S1PR3 Q99500 9/20 0.37
S1PR4 O95977 8/20 0.37
DNM1 Q05193 2/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL13976256 0.94 EPHX1 (0.48) EPHX1LMNAS1PR2S1PR1S1PR3
SCHEMBL18871732 0.89 EPHX1 (0.43) EPHX1
SCHEMBL13976194 0.86 TSHR (0.46) EPHX1LMNAS1PR2S1PR1S1PR3
SCHEMBL15786189 0.86 TSHR (0.46) EPHX1LMNAS1PR2S1PR1S1PR3
SCHEMBL13976197 0.86 TSHR (0.46) EPHX1LMNAS1PR2S1PR1S1PR3
SCHEMBL28935954 0.86 TSHR (0.46) EPHX1LMNAS1PR2S1PR1S1PR3
SCHEMBL15786641 0.86 TSHR (0.46) EPHX1LMNAS1PR2S1PR1S1PR3
SCHEMBL19890567 0.86 DNM1 (0.46) EPHX1LMNADNM1ADH1BADH1C
SCHEMBL22765977 0.86 EPHX1 (0.52) EPHX1LMNADNM1ADH1BADH1C
SCHEMBL8200683 0.86 EPHX1 (0.52) EPHX1LMNADNM1ADH1BADH1C

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-20170129881-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 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-20170129881-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 EPHX1 2709/4885LMNA 4208/4885S1PR2 848/4885

“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.