SCHEMBL20679840

SCHEMBL20679840

O=C(OC(=O)C(F)(F)F)C1CN(C2CCc3c(Cl)ccc(OCCc4cccc5ccccc45)c3C2)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.58
MAOB P27338 3/20 0.40
MCL1 Q07820 5/20 0.36
KCNA5 P22460 2/20 0.33
SCN5A Q14524 2/20 0.33
SYK P43405 1/20 0.33
MAOA P21397 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
Trifluoroacetic Acid SCHEMBL30828821 0.89 S1PR5 (0.69) S1PR5MAOBMCL1KCNA5SCN5A
Trifluoroacetic Acid SCHEMBL20573650 0.89 S1PR5 (0.69) S1PR5MAOBMCL1KCNA5SCN5A
SCHEMBL19201090 0.75 S1PR5 (0.82) S1PR5MAOBMCL1
SCHEMBL30828825 0.74 S1PR5 (1.00) S1PR5MAOBMCL1KCNA5SCN5A
SCHEMBL19201148 0.74 S1PR5 (1.00) S1PR5MAOBMCL1KCNA5SCN5A
SCHEMBL20679855 0.71 MEN1 (0.33) S1PR5
SCHEMBL20573455 0.64 S1PR5 (0.73) S1PR5MAOBMCL1KCNA5SCN5A
SCHEMBL29332504 0.63 S1PR5 (0.74) S1PR5MCL1
Trifluoroacetic Acid SCHEMBL20679856 0.63 OPRM1 (0.35) S1PR5
SCHEMBL20573391 0.62 S1PR5 (0.68) S1PR5MAOBMCL1KCNA5SCN5A

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-10730830-B2 Tetrahydronaphthalene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2020-08-04 US disclosed
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-01-31 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 (2 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-10730830-B2 Tetrahydronaphthalene derivative S1PR5, S1PR1, GPR55 S1PR5 1/4885MAOB 2194/4885MCL1 2364/4885
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE S1PR5, S1PR1, GPR55 S1PR5 1/4885MAOB 2063/4885MCL1 2223/4885

“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.