SCHEMBL3369898

SCHEMBL3369898

CC1(C)C(=O)c2ccccc2C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
S100A4 P26447 1/20 0.43
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 3/20 0.41
CASP1 P29466 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CA7 P43166 1/20 0.41
BACE1 P56817 1/20 0.41
CA9 Q16790 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PGR P06401 1/20 0.39
TYMS P04818 1/20 0.39

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
SCHEMBL29173988 0.86 ALDH1A1 (0.45) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL29386757 0.82 PDK2 (0.44) ALDH1A1HSP90AA1HSP90AB1S100A4SMN1; SMN2
SCHEMBL18383337 0.82 PDK2 (0.44) ALDH1A1HSP90AA1HSP90AB1S100A4SMN1; SMN2
SCHEMBL2820392 0.80 ALDH1A1 (0.44) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL13641101 0.78 ALDH1A1 (0.39) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL30349347 0.77 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL132951 0.77 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL132952 0.77 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL12084731 0.76 SIGMAR1 (0.37) ALDH1A1HSP90AA1HSP90AB1S100A4SMN1; SMN2
SCHEMBL13144527 0.76 THRB (0.46) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6

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-8013018-B2 Aminoindane derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
EP-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP disclosed
US-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-7538243-B2 Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2009-05-26 US disclosed
EP-1697334-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-09-06 EP disclosed
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 US disclosed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 US disclosed
WO-2005056540-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed
EP-1478616-A1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY Givaudan SA (CH) 2004-11-24 EP disclosed
WO-2003072533-A1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2003-09-04 WO disclosed
EP-1340741-A1 Indane derivatives and their use in perfumery Givaudan SA (CH) 2003-09-03 EP disclosed
EP-0977892-A1 METHODS AND COMPOSITIONS FOR USE IN MODULATING EXPRESSION OF MATRIX METALLOPROTEINASE GENES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-02-09 EP disclosed
WO-1998048055-A1 METHODS AND COMPOSITIONS FOR USE IN MODULATING EXPRESSION OF MATRIX METALLOPROTEINASE GENES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-10-29 WO disclosed
US-4532357-A Reacting methylindanes with oxygen or air in presence of transition metal oxidation catalyst, recovering product by fractional distillation INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-07-30 US 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 (3 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-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF GRIN3A, OPRL1, GRIN2A ALDH1A1 2681/4885HSP90AA1 3337/4885HSP90AB1 3325/4885
US-20050148493-A1 Indanes and indanones and their use in perfumery NISCH, CYP1B1, CYP2E1 ALDH1A1 195/4885HSP90AA1 3088/4885HSP90AB1 2599/4885
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 ALDH1A1 788/4885HSP90AA1 3837/4885HSP90AB1 3490/4885

“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.