SCHEMBL1346212

SCHEMBL1346212

CCC1C(c2ccc(O)cc2)Cc2ccc(O)cc2C1Cc1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
MDM2 Q00987 1/20 0.36
ESR2 Q92731 4/20 0.32
ESR1 P03372 3/20 0.32
DRD1 P21728 3/20 0.31
HTR2A P28223 1/20 0.31
P2RX7 Q99572 1/20 0.31
SOAT1 P35610 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
SCHEMBL1346917 0.88 SHBG (0.40) SHBGMDM2ESR2ESR1DRD1
SCHEMBL1346890 0.88 SHBG (0.40) SHBGMDM2ESR2ESR1DRD1
SCHEMBL1346920 0.88 SHBG (0.40) SHBGMDM2ESR2ESR1DRD1
SCHEMBL1346787 0.88 SHBG (0.40) SHBGMDM2ESR2ESR1DRD1
SCHEMBL1346889 0.88 SHBG (0.40) SHBGMDM2ESR2ESR1DRD1
SCHEMBL12133292 0.85 SHBG (0.44) SHBGESR2ESR1DRD1SOAT1
SCHEMBL1347277 0.84 SHBG (0.44) SHBGMDM2ESR2ESR1SOAT1
SCHEMBL1346302 0.84 SHBG (0.44) SHBGMDM2ESR2ESR1SOAT1
SCHEMBL1347610 0.84 SHBG (0.44) SHBGMDM2ESR2ESR1SOAT1
SCHEMBL1346104 0.84 NQO2 (0.41) MDM2HTR2A

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 31/4885MDM2 802/4885ESR2 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.