SCHEMBL2953559

SCHEMBL2953559

CC1(C)CC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2O1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAOB P27338 11/20 0.54
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PDE4B Q07343 1/20 0.44
MAPK1 P28482 1/20 0.43
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 2/20 0.41

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
SCHEMBL3956732 0.87 MAOB (0.56) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL14201231 0.85 MAOB (0.39) ALDH1A1KDM4EMAOBMAPT
SCHEMBL27722273 0.85 HTR6 (0.41) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL30065891 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL9293231 0.79 MAOB (0.46) ALDH1A1KDM4EMAOBMAPTPDE4B
SCHEMBL12478170 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL12478697 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL30065841 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL544297 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EMAOBMAPTNPC1
SCHEMBL2953309 0.74 ALDH1A1 (0.57) 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 17 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
CN-101119989-B Chroman derivatives and uses thereof in treating CNS disease HOFFMANN LA ROCHE 2010-06-09 CN 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
CN-101124212-A Chroman derivatives and their use as 5-HT receptor ligands ROCHE PALO ALTO LLC (CH) 2008-02-13 CN disclosed
CN-101119989-A Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (CH) 2008-02-06 CN 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.