SCHEMBL2953309

SCHEMBL2953309

CC1(C)CC(=O)c2ccc(Sc3ccccc3)cc2O1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MAOB P27338 12/20 0.55
MAPT P10636 2/20 0.47
MAOA P21397 1/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 2/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL544297 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL30065841 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL12478953 0.75 KDM4E (0.57) ALDH1A1KDM4EMAOBMAPTADRB2
SCHEMBL6385719 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL4728857 0.74 KDM4E (0.69) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL2953559 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL2319848 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL1569957 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL1983108 0.73 ALDH1A1 (1.00) ALDH1A1KDM4EMAOBMAPTMAOA
SCHEMBL6552997 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EMAOBMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US disclosed
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US disclosed
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US disclosed
US-7528250-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-05 US disclosed
US-7528250-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-05 US disclosed
US-7528250-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-05 US disclosed
EP-1831191-B1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-05-21 EP disclosed
EP-1831191-B1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-05-21 EP disclosed
EP-1831191-A1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
EP-1831203-A1 CHROMAN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060148820-A1 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-06 US disclosed
US-20060148888-A1 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-06 US disclosed
WO-2006066756-A1 CHROMAN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066746-A1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO 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 (2 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-20060148820-A1 Chroman derivatives and uses thereof RB1, RECQL, CCNY ALDH1A1 1299/4885KDM4E 2035/4885MAOB 773/4885
US-20060148888-A1 Chroman derivatives and uses thereof RB1, RECQL, CCNY ALDH1A1 1299/4885KDM4E 2035/4885MAOB 773/4885

“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.