SCHEMBL809603

SCHEMBL809603

COc1ccc(C2C(=O)C(N3CCOCC3)Cc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 2/20 0.41
GID4 Q8IVV7 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
OPRL1 P41146 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL809935 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19GID4
SCHEMBL808897 0.68 GID4 (0.55) ALDH1A1KDM4ECASP1HSD17B10LMNA
SCHEMBL11004808 0.67 OPRM1 (0.49) ALDH1A1KDM4EHSD17B10DRD2DRD4
SCHEMBL13187266 0.66 ALDH1A1 (1.00) ALDH1A1POLBHSD17B10KMT2AMAPT
SCHEMBL10376791 0.65 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AMAOANPC1
SCHEMBL29608349 0.65 POLB (0.48) ALDH1A1POLBKMT2ACYP2C19NPC1
SCHEMBL9148331 0.64 KDM1A (0.53) MAOAGID4HTR2ANPC1TP53
SCHEMBL9145505 0.64 KDM1A (0.53) MAOAGID4HTR2ANPC1TP53
SCHEMBL8542014 0.64 SMN1; SMN2 (0.50) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL30563698 0.64 GID4 (0.52) GID4DRD2

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 4 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-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

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 ALDH1A1 874/4885POLB 1111/4885KDM4E 1954/4885

“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.