SCHEMBL22693538

SCHEMBL22693538

CN1CCc2cc(OC(C)(C)C)ccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GRM5 P41594 1/20 0.50
▸ PRF1 P14222 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ OPRD1 P41143 1/20 0.40

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
SCHEMBL16375197 0.87 AOC3 (0.55) AOC3MEN1KMT2AGRM5HRH3
SCHEMBL22693606 0.86 AOC3 (0.52) AOC3MEN1KMT2AGRM5
SCHEMBL2204112 0.83 MEN1 (0.62) AOC3MEN1KMT2AGRM5
SCHEMBL22693539 0.79 AOC3 (0.53) AOC3MEN1KMT2AGRM5HRH3
SCHEMBL8230310 0.79 AOC3 (0.53) AOC3MEN1KMT2AGRM5HRH3
SCHEMBL16456038 0.77 GRM5 (0.54) AOC3MEN1KMT2AGRM5PRF1
SCHEMBL20214501 0.75 MEN1 (0.51) AOC3MEN1KMT2AGRM5
SCHEMBL18053937 0.74 GRM5 (0.57) AOC3MEN1KMT2AGRM5PRF1
SCHEMBL424393 0.74 GRM5 (0.57) AOC3MEN1KMT2AGRM5PRF1
SCHEMBL29772190 0.74 MAOB (0.55) —

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-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-11-26 — — 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-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF S1PR2, S1PR1, S1PR3 AOC3 4293/4885MEN1 599/4885KMT2A 3851/4885

“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.

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