SCHEMBL3368817

SCHEMBL3368817

CC(=O)OC1(C)C(=O)c2ccccc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 8/20 0.39
TDP2 O95551 5/20 0.39
KMT2A Q03164 4/20 0.39
APAF1 O14727 3/20 0.39
NSD2 O96028 3/20 0.39
RECQL P46063 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 3/20 0.39
PKM P14618 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALOX12 P18054 2/20 0.39
BLM P54132 2/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL10917714 0.76 MAPT (0.47) ALDH1A1MAPTTDP2KMT2AAPAF1
SCHEMBL3369898 0.73 ALDH1A1 (0.48) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2
SCHEMBL27796354 0.73 ALDH1A1 (0.45) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2
SCHEMBL24355593 0.72 THRB (0.45) ALDH1A1MAPTTDP2KMT2AAPAF1
SCHEMBL25698875 0.72 ALDH1A1 (0.53) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2
SCHEMBL13144527 0.71 THRB (0.46) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2
SCHEMBL26781883 0.71 ALDH1A1 (0.38) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2
SCHEMBL27603459 0.71 THRB (0.48) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2
SCHEMBL29173988 0.70 ALDH1A1 (0.45) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2
SCHEMBL132951 0.69 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1MAPTTDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP claimed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 US claimed
EP-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP disclosed
US-7538243-B2 Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2009-05-26 US disclosed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 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 (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-20050148493-A1 Indanes and indanones and their use in perfumery NISCH, CYP1B1, CYP2E1 ALDH1A1 195/4885HSP90AA1 3088/4885HSP90AB1 2599/4885

“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.