SCHEMBL6756233

SCHEMBL6756233

CCN(CC)CCOc1ccc(C2=C(c3ccccc3)CCc3cc(OCCN(CC)CC)ccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.68
ESR2 Q92731 2/20 0.64
EBP Q15125 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
MIF P14174 1/20 0.49
MAPT P10636 1/20 0.49
CHRNA7 P36544 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.47
LTA4H P09960 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL11880808 0.94 ESR1 (0.72) ESR1ESR2EBPSIGMAR1MIF
SCHEMBL6756238 0.89 ESR1 (0.80) ESR1ESR2EBPSIGMAR1
SCHEMBL6756246 0.85 ESR1 (0.72) ESR1ESR2EBPSIGMAR1
Hydrochloric Acid SCHEMBL405608 0.84 ESR1 (0.56) ESR1ESR2EBPSIGMAR1MAPT
SCHEMBL13350201 0.82 ESR1 (0.71) ESR1ESR2EBPSIGMAR1
SCHEMBL13109358 0.82 EBP (0.74) ESR1ESR2EBPSIGMAR1MIF
SCHEMBL18850172 0.81 ESR1 (0.72) ESR1ESR2EBPSIGMAR1MAPT
SCHEMBL17152127 0.79 ESR1 (0.69) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL2811246 0.79 ESR1 (0.56) ESR1ESR2EBPSIGMAR1
SCHEMBL18845488 0.79 EBP (0.58) ESR1ESR2EBPSIGMAR1

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 142/4885ESR2 167/4885EBP 1540/4885

“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.