SCHEMBL1345038

SCHEMBL1345038

CCOC(=O)C(CC)C(Cc1ccc(OC)cc1)c1ccc(OC)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ PDE2A O00408 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PPARG P37231 1/20 0.38

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
SCHEMBL1344851 0.86 EPHX2 (0.53) LDHAEPHX2ALDH1A1KDM4EHTT
SCHEMBL1346076 0.81 TAS2R14 (0.46) LDHAEPHX2TAS1R3TAS1R1ALDH1A1
SCHEMBL1344504 0.81 EPHX2 (0.44) LDHAEPHX2ALDH1A1KDM4EHTT
SCHEMBL1346136 0.77 EPHX2 (0.48) LDHAEPHX2TAS1R3TAS1R1ALDH1A1
SCHEMBL1346468 0.76 TAS1R3 (0.47) LDHAEPHX2TAS1R3TAS1R1ALDH1A1
SCHEMBL10982437 0.76 ESR1 (0.47) EPHX2TAS1R3TAS1R1ALDH1A1
SCHEMBL1347512 0.72 EPHX2 (0.51) LDHAEPHX2ALDH1A1KDM4EHTT
SCHEMBL9862619 0.72 SHBG (0.40) PDE2ATAS1R3TAS1R1HTTTAS2R14
SCHEMBL15668966 0.71 HTT (0.51) LDHATAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL3235287 0.71 LDHA (0.44) LDHAALDH1A1KDM4EMITFHTT

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 5 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

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 LDHA 995/4885EPHX2 1099/4885PDE2A 4093/4885

“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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