SCHEMBL1344533

SCHEMBL1344533

CC1C(c2ccc(O)cc2)Cc2ccc(O)c(F)c2C1Cc1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
SHBG P04278 1/20 0.34
ESR1 P03372 9/20 0.33
ESR2 Q92731 9/20 0.33
KDM1A O60341 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
EED O75530 1/20 0.30

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
SCHEMBL1347133 0.88 EED (0.37) SHBGESR1ESR2EED
SCHEMBL1346967 0.83 SHBG (0.42) SIGMAR1SHBGESR1ESR2GRIN1
SCHEMBL1346297 0.83 SHBG (0.42) SIGMAR1SHBGESR1ESR2GRIN1
SCHEMBL1347419 0.83 SHBG (0.42) SIGMAR1SHBGESR1ESR2GRIN1
SCHEMBL1347021 0.78 SIGMAR1 (0.36) SIGMAR1SHBGMAOBGRIN1GRIN2B
SCHEMBL1347277 0.73 SHBG (0.44) SIGMAR1SHBGESR1ESR2GRIN1
SCHEMBL1347610 0.73 SHBG (0.44) SIGMAR1SHBGESR1ESR2GRIN1
SCHEMBL1346302 0.73 SHBG (0.44) SIGMAR1SHBGESR1ESR2GRIN1
SCHEMBL1346410 0.72 SIGMAR1 (0.39) SIGMAR1SHBGESR1ESR2MAOB
SCHEMBL12133276 0.71 SHBG (0.41) SIGMAR1SHBGESR1ESR2

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 SIGMAR1 2407/4885SHBG 31/4885ESR1 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.