SCHEMBL6756246

SCHEMBL6756246

CN(C)CCCOc1ccc(C2=C(c3ccccc3)CCc3cc(OCCCN(C)C)ccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.72
EBP Q15125 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
LSS P48449 1/20 0.58
ESR2 Q92731 6/20 0.56
CXCR1 P25024 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL6756238 0.94 ESR1 (0.80) ESR1EBPSIGMAR1LSSESR2
SCHEMBL13350201 0.87 ESR1 (0.71) ESR1EBPSIGMAR1ESR2
SCHEMBL6756233 0.85 ESR1 (0.68) ESR1EBPSIGMAR1ESR2
SCHEMBL17152127 0.85 ESR1 (0.69) ESR1EBPSIGMAR1LSSESR2
SCHEMBL13109358 0.83 EBP (0.74) ESR1EBPSIGMAR1ESR2
SCHEMBL18850172 0.82 ESR1 (0.72) ESR1EBPSIGMAR1ESR2
SCHEMBL11880808 0.80 ESR1 (0.72) ESR1EBPSIGMAR1ESR2
SCHEMBL2811903 0.79 EBP (0.88) ESR1EBPSIGMAR1ESR2HRH3
SCHEMBL8004280 0.78 ESR1 (0.70) ESR1EBPSIGMAR1ESR2
SCHEMBL2811811 0.78 EBP (0.86) ESR1EBPSIGMAR1ESR2HRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2192108-B1 Novel dihydronaphthalene compound and use thereof UNIV TOKYO SCI EDUC FOUND (JP) 2013-03-27 EP disclosed
US-8183235-B2 Dihydronaphthalene compound and use thereof TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-05-22 US disclosed
US-8183235-B2 Dihydronaphthalene compound and use thereof TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-05-22 US disclosed
US-20100249400-A1 NOVEL DIHYDRONAPHTHALENE COMPOUND AND USE THEREOF TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-30 US disclosed
US-20100249400-A1 NOVEL DIHYDRONAPHTHALENE COMPOUND AND USE THEREOF TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-30 US disclosed
EP-2192108-A1 NOVEL DIHYDRONAPHTHALENE COMPOUND AND USE THEREOF Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-06-02 EP 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-20100249400-A1 NOVEL DIHYDRONAPHTHALENE COMPOUND AND USE THEREOF PSME1, NDUFB1, NDUFB10 ESR1 142/4885EBP 1540/4885SIGMAR1 493/4885

“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.