SCHEMBL1346316

SCHEMBL1346316

CC[C@@H]1[C@H](c2ccc(O)c(F)c2)Cc2ccc(O)cc2[C@@H]1Cc1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MDM2 Q00987 1/20 0.32
DRD5 P21918 4/20 0.31
KDM1A O60341 1/20 0.31
PRKCZ Q05513 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL1344324 1.00 SHBG (0.36) SHBGSIGMAR1ALDH1A1MAPK1ESR1
SCHEMBL1347606 1.00 SHBG (0.36) SHBGSIGMAR1ALDH1A1MAPK1ESR1
SCHEMBL1347277 0.92 SHBG (0.44) SHBGSIGMAR1ALDH1A1MAPK1ESR1
SCHEMBL1346302 0.92 SHBG (0.44) SHBGSIGMAR1ALDH1A1MAPK1ESR1
SCHEMBL1347610 0.92 SHBG (0.44) SHBGSIGMAR1ALDH1A1MAPK1ESR1
SCHEMBL1347047 0.85 SIGMAR1 (0.37) SHBGSIGMAR1ALDH1A1MAPK1ESR1
SCHEMBL1347188 0.83 SHBG (0.50) SHBGSIGMAR1ESR1ESR2SLC6A2
SCHEMBL1347021 0.81 SIGMAR1 (0.36) SHBGSIGMAR1ALDH1A1MAPK1MAOB
SCHEMBL1347419 0.80 SHBG (0.42) SHBGSIGMAR1ALDH1A1MAPK1ESR1
SCHEMBL12133292 0.80 SHBG (0.44) SHBGSIGMAR1ALDH1A1ESR1ESR2

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
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

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 2407/4885ALDH1A1 286/4885

“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.