SCHEMBL19667352

SCHEMBL19667352

CCCCCCCCCCC1CCCCCCC1(O)CCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
EPHX1 P07099 10/20 0.36
EPHX2 P34913 2/20 0.36
NAAA Q02083 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL28717721 0.98 EPHX1 (0.34) CYP1A2EPHX1EPHX2NAAATDP1
SCHEMBL8047946 0.98 EPHX1 (0.34) CYP1A2EPHX1EPHX2NAAATDP1
SCHEMBL8063149 0.97 TDP1 (0.35) CYP1A2EPHX1EPHX2NAAATDP1
SCHEMBL28217865 0.93 CYP1A2 (0.38) CYP1A2EPHX1EPHX2NAAATDP1
SCHEMBL1953215 0.88 CYP1A2 (0.39) CYP1A2TDP1
SCHEMBL25277094 0.85 CYP1A2 (0.35) CYP1A2TDP1
SCHEMBL7630994 0.84 TDP1 (0.36) EPHX1TDP1
SCHEMBL5655317 0.82 EPHX1 (0.31) EPHX1EPHX2
SCHEMBL31421560 0.82 TDP1 (0.37) EPHX1TDP1
SCHEMBL16766423 0.81 TDP1 (0.39) EPHX1EPHX2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974769-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2018-05-22 US disclosed
US-20170348282-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2017-12-07 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-20170348282-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 CYP1A2 909/4885EPHX1 672/4885EPHX2 1769/4885

“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.