SCHEMBL1346967

SCHEMBL1346967

C[C@H]1[C@@H](c2ccc(O)cc2)Cc2ccc(O)cc2[C@H]1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SOAT1 P35610 1/20 0.33
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL1346297 1.00 SHBG (0.42) SHBGSIGMAR1ESR1ESR2GRIN1
SCHEMBL1347419 1.00 SHBG (0.42) SHBGSIGMAR1ESR1ESR2GRIN1
SCHEMBL1347021 0.90 SIGMAR1 (0.36) SHBGSIGMAR1GRIN1GRIN2BALDH1A1
SCHEMBL1346410 0.89 SIGMAR1 (0.39) SHBGSIGMAR1ESR1ESR2GRIN1
SCHEMBL1346302 0.88 SHBG (0.44) SHBGSIGMAR1ESR1ESR2GRIN1
SCHEMBL1347277 0.88 SHBG (0.44) SHBGSIGMAR1ESR1ESR2GRIN1
SCHEMBL12133276 0.88 SHBG (0.41) SHBGSIGMAR1ESR1ESR2
SCHEMBL1347610 0.88 SHBG (0.44) SHBGSIGMAR1ESR1ESR2GRIN1
SCHEMBL1347302 0.87 SHBG (0.45) SHBGSIGMAR1ESR1ESR2GRIN1
SCHEMBL1346656 0.87 SHBG (0.45) SHBGSIGMAR1ESR1ESR2GRIN1

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 7 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
US-8063102-B2 Tetrahydronaphthalen-2-ol derivatives N.V. ORGANON (NL) 2011-11-22 US disclosed
US-8063102-B2 Tetrahydronaphthalen-2-ol derivatives N.V. ORGANON (NL) 2011-11-22 US 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
US-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N. V. ORGANON 2010-09-23 US disclosed
US-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N. V. ORGANON 2010-09-23 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 SHBG 31/4885SIGMAR1 2407/4885ESR1 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.