SCHEMBL1346098

SCHEMBL1346098

COc1ccccc1CC1c2cc(O)ccc2CC(c2ccc(O)cc2)C1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
TTR P02766 1/20 0.37
ESR1 P03372 5/20 0.36
ESR2 Q92731 5/20 0.36
KDM1A O60341 3/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 2/20 0.36
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.84 SHBG (0.42) SHBGESR1ESR2NQO2MTNR1A
SCHEMBL1347419 0.84 SHBG (0.42) SHBGESR1ESR2NQO2MTNR1A
SCHEMBL1346967 0.84 SHBG (0.42) SHBGESR1ESR2NQO2MTNR1A
SCHEMBL1346403 0.84 SHBG (0.44) SHBGESR1ESR2
SCHEMBL1346917 0.82 SHBG (0.40) SHBGESR1ESR2
SCHEMBL12133315 0.82 SHBG (0.40) SHBGESR1ESR2
SCHEMBL1346920 0.82 SHBG (0.40) SHBGESR1ESR2
SCHEMBL1346890 0.82 SHBG (0.40) SHBGESR1ESR2
SCHEMBL12133303 0.82 SHBG (0.40) SHBGESR1ESR2
SCHEMBL1346889 0.82 SHBG (0.40) SHBGESR1ESR2

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 31/4885TTR 705/4885ESR1 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.