SCHEMBL1344597

SCHEMBL1344597

Oc1ccc(C2CCc3cc(O)ccc3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.59
ESR2 Q92731 12/20 0.53
ESR1 P03372 7/20 0.53
TTR P02766 1/20 0.53
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
CYP19A1 P11511 1/20 0.47
DRD4 P21917 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL3656067 0.90 OPRK1 (0.51) OPRK1ESR2ESR1TTRDRD2
SCHEMBL4362691 0.90 OPRK1 (0.56) OPRK1ESR2ESR1DRD2DRD3
SCHEMBL29683543 0.90 OPRK1 (0.56) OPRK1ESR2ESR1DRD2DRD3
SCHEMBL13873900 0.90 OPRK1 (0.51) OPRK1ESR2ESR1TTRDRD2
SCHEMBL21780916 0.90 OPRK1 (0.56) OPRK1ESR2ESR1DRD2DRD3
SCHEMBL5580620 0.88 OPRK1 (0.57) OPRK1ESR2ESR1TTRDRD2
SCHEMBL19428987 0.86 CYP26A1 (0.52) OPRK1ESR2ESR1DRD2DRD3
SCHEMBL31279833 0.84 CA1 (0.51) OPRK1ESR2ESR1TTRDRD2
SCHEMBL227769 0.77 OPRK1 (0.57) OPRK1ESR2ESR1DRD2DRD3
SCHEMBL14219186 0.76 ALDH5A1 (0.41) OPRK1ESR2ESR1TTRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406206-B1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES MSD OSS BV (NL) 2013-01-30 EP disclosed
EP-2406206-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES MSD Oss B.V. (NL) 2012-01-18 EP disclosed
US-8063102-B2 Tetrahydronaphthalen-2-ol derivatives N.V. ORGANON (NL) 2011-11-22 US disclosed
US-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N. V. ORGANON 2010-09-23 US disclosed
WO-2010103095-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N.V. ORGANON (NL) 2010-09-16 WO disclosed
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 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-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES VHL, BRCA1, TPH2 OPRK1 92/4885ESR2 20/4885ESR1 183/4885

“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.