SCHEMBL1344488

SCHEMBL1344488

CCC1C(c2ccc(O)cc2)Cc2ccc(O)cc2C1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.45
ESR1 P03372 10/20 0.40
ESR2 Q92731 10/20 0.40
SIGMAR1 Q99720 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.33

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
SCHEMBL1347267 1.00 SHBG (0.45) SHBGESR1ESR2SIGMAR1NPC1L1
SCHEMBL1345770 1.00 SHBG (0.45) SHBGESR1ESR2SIGMAR1NPC1L1
SCHEMBL1347727 0.94 SHBG (0.50) SHBGESR1ESR2
SCHEMBL1346006 0.88 SHBG (0.47) SHBGESR1ESR2SIGMAR1
SCHEMBL1344609 0.87 SHBG (0.43) SHBGESR1ESR2SIGMAR1NPC1L1
SCHEMBL1346531 0.87 SHBG (0.43) SHBGESR1ESR2SIGMAR1NPC1L1
SCHEMBL1346151 0.87 SHBG (0.43) SHBGESR1ESR2SIGMAR1NPC1L1
SCHEMBL1346302 0.82 SHBG (0.44) SHBGESR1ESR2SIGMAR1
SCHEMBL1347277 0.82 SHBG (0.44) SHBGESR1ESR2SIGMAR1
SCHEMBL1347610 0.82 SHBG (0.44) SHBGESR1ESR2SIGMAR1

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 31/4885ESR1 183/4885ESR2 20/4885

“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.