SCHEMBL809535

SCHEMBL809535

O=C1CCc2cc3c(cc2C1c1ccccc1)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
ALOX5 P09917 1/20 0.40
CYP2D6 P10635 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL13343323 0.82 ALDH1A1 (0.53) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL27861333 0.78 LMNA (0.36) HPGDCYP3A4LMNACYP1A2
SCHEMBL809380 0.77 SCN9A (0.50) ALOX5CYP2D6KDM4EALDH1A1GLA
SCHEMBL13343320 0.76 MAPT (0.54) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL1722733 0.74 GAA (0.51) HPGDCYP3A4LMNACYP1A2
SCHEMBL5315718 0.73 CYP1A2 (0.54) CYP2D6ALDH1A1HSD17B10CYP3A4CYP2C9
SCHEMBL11714513 0.72 KDM1A (0.61)
SCHEMBL6617779 0.70 CYP2D6 (0.43) CYP2D6KDM4EALDH1A1GLAHPGD
SCHEMBL809758 0.70 CA1 (0.55)
SCHEMBL822036 0.69 MAPT (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955992-B1 Process for the preparation of 1-aryl-3, 4-dihydro-1h-napthalene-2-one TOKUYAMA CORP (JP) 2011-11-23 EP disclosed
US-7728154-B2 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2010-06-01 US disclosed
US-7728154-B2 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2010-06-01 US disclosed
US-7728154-B2 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2010-06-01 US disclosed
US-20080200697-A1 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200697-A1 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200697-A1 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2008-08-21 US disclosed
EP-1955992-A2 Process for the preparation of 1-aryl-3, 4-dihydro-1h-napthalene-2-one TOKUYAMA CORPORATION (JP) 2008-08-13 EP disclosed
EP-1955992-A2 Process for the preparation of 1-aryl-3, 4-dihydro-1h-napthalene-2-one TOKUYAMA CORPORATION (JP) 2008-08-13 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-20080200697-A1 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one SULT1E1, CYP2S1, SULT1A1 KIF11 1494/4885ALOX5 1646/4885CYP2D6 127/4885

“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.