SCHEMBL5456539

SCHEMBL5456539

CC1(C)CC(O)(C(F)(F)F)C(CNc2cccc3[nH]ncc23)c2ccc3c(c21)OCO3

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL3533338 0.86 NR3C1 (0.49) TRPV1RAF1BRAF
SCHEMBL5460432 0.85 NR3C1 (0.52) TRPV1
SCHEMBL5460242 0.82 NR3C1 (0.44)
SCHEMBL5471627 0.82 NR3C1 (0.35) TRPV1
SCHEMBL5471686 0.79 TRPV1 (0.36) TRPV1RAF1BRAF
SCHEMBL5460763 0.78 NR3C1 (0.43)
SCHEMBL5462819 0.69 NR3C1 (0.54) TRPV1
SCHEMBL3535647 0.69 NR3C1 (0.55) TRPV1
SCHEMBL3535161 0.69 NR3C1 (0.52) TRPV1
SCHEMBL4628515 0.68 NR3C1 (0.45) TRPV1

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
WO-2006108714-A2 TETRAHYDRONAPHTHALENE DERIVATIVES METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-19 WO claimed
US-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAEURLE STEFAN 2007-01-18 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-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES TRPV1 157/4885RAF1 4077/4885BRAF 4490/4885

“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.