SCHEMBL1346136

SCHEMBL1346136

CCCC(C(=O)OCC)C(Cc1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.48
▸ LDHA P00338 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ ADRB2 P07550 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 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
SCHEMBL1344851 0.89 EPHX2 (0.53) EPHX2LDHACYP1A2CYP2D6CYP2C19
SCHEMBL1347512 0.82 EPHX2 (0.51) EPHX2LDHACYP1A2CYP2D6CYP2C19
SCHEMBL10982437 0.77 ESR1 (0.47) EPHX2TAS1R3TAS1R1KMT2AGLA
SCHEMBL1345038 0.77 LDHA (0.42) EPHX2LDHATAS1R3TAS1R1ALDH1A1
SCHEMBL8902271 0.76 LDHA (0.53) EPHX2LDHAKMT2AGLAALOX15
SCHEMBL490486 0.75 LDHA (0.69) EPHX2LDHACYP1A2CYP2D6CYP2C19
SCHEMBL10694356 0.74 PPARG (0.48) EPHX2LDHAKMT2AALDH1A1NPC1
SCHEMBL2241047 0.74 LDHA (0.57) EPHX2LDHACYP1A2CYP2D6CYP2C19
SCHEMBL11762033 0.74 LDHA (0.57) EPHX2LDHACYP1A2CYP2D6CYP2C19
SCHEMBL11458721 0.73 LDHA (0.49) EPHX2LDHATAS1R3TAS1R1KMT2A

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 EPHX2 1099/4885LDHA 995/4885TAS1R3 2433/4885

“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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