SCHEMBL3369923

SCHEMBL3369923

C=C1C(=O)c2ccccc2C1(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.43
IDO1 P14902 1/20 0.43
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CTSD P07339 1/20 0.39
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3372258 0.84 MAOB (0.45) MEN1KMT2ATDP1MAOAMAOB
SCHEMBL29522682 0.82 MEN1 (0.52) PGRPDK2PDK4MEN1KMT2A
SCHEMBL1855552 0.82 MEN1 (0.52) PGRPDK2PDK4MEN1KMT2A
SCHEMBL12997894 0.82 MEN1 (0.52) PGRPDK2PDK4MEN1KMT2A
SCHEMBL12997896 0.82 MEN1 (0.52) PGRPDK2PDK4MEN1KMT2A
SCHEMBL31638323 0.78 PGR (0.46) PGRPDK2PDK4MEN1KMT2A
SCHEMBL28267013 0.78 PGR (0.46) PGRPDK2PDK4MEN1KMT2A
SCHEMBL29141511 0.74 PDK2 (0.39) PGRIDO1PDK2PDK4MAOA
SCHEMBL14490511 0.73 MEN1 (0.37) PGRMEN1KMT2ACDC25BKDM4E
SCHEMBL29186770 0.73 HTR2A (0.47) PGRIDO1PDK2PDK4MEN1

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 6 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
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
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

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 PGR 798/4885IDO1 41/4885PDK2 86/4885

“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.