SCHEMBL1044707

SCHEMBL1044707

CC1=CCC(C(C)O)C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.32

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
SCHEMBL1225550 0.80
SCHEMBL9245120 0.79
SCHEMBL10576834 0.79 USP2 (0.32) CYP17A1
SCHEMBL1040058 0.79 USP2 (0.30)
SCHEMBL2425760 0.78
SCHEMBL2455721 0.77 UGT2B7 (0.33)
SCHEMBL2425296 0.77 LMNA (0.30)
SCHEMBL2426317 0.77 UGT2B7 (0.33)
SCHEMBL11725542 0.77 NR1H3 (0.33)
SCHEMBL2184333 0.77

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445732-B2 Organic compounds GIVAUDAN SA (CH) 2013-05-21 US claimed
EP-2268599-B1 Derivatives of campholenic aldehyde GIVAUDAN SA (CH) 2011-09-21 EP claimed
EP-2252674-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-09-07 EP claimed
EP-2268599-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2011-01-05 EP claimed
US-20100331427-A1 Organic Compounds GIVAUDAN SA (CH) 2010-12-30 US claimed
US-20100322889-A1 Organic Compounds GIVAUDAN SA (CH) 2010-12-23 US claimed
EP-2252674-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-11-24 EP claimed
WO-2009100555-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-08-20 WO claimed
WO-2009100554-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-08-20 WO claimed
EP-2074080-B1 2, 3, 3 -TRIMETHYLCYCLOPENT-3 -ENECARBALDEHYDE DERIVATIVES USEFUL AS ODORANTS GIVAUDAN SA (CH) 2015-09-16 EP disclosed
US-8445732-B2 Organic compounds GIVAUDAN SA (CH) 2013-05-21 US disclosed
EP-2268599-B1 Derivatives of campholenic aldehyde GIVAUDAN SA (CH) 2011-09-21 EP disclosed
EP-2252674-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-09-07 EP disclosed
US-20110166239-A9 2,3,3-Trimethylcyclopent-3-Enecarbaldehyde Derivatives Useful as Odorants GIVAUDAN SA (CH) 2011-07-07 US disclosed
EP-2252674-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-11-24 EP disclosed
US-20100105782-A1 2,3,3-Trimethylcyclopent-3-Enecarbaldehyde Derivatives Useful as Odorants GIVAUDAN SA (CH) 2010-04-29 US disclosed
WO-2009100555-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-08-20 WO disclosed
WO-2009100554-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-08-20 WO disclosed
EP-2074080-A1 2, 3, 3 -TRIMETHYLCYCLOPENT-3 -ENECARBALDEHYDE DERIVATIVES USEFUL AS ODORANTS Givaudan SA (CH) 2009-07-01 EP disclosed
WO-2008046239-A1 2, 3, 3 -TRIMETHYLCYCLOPENT-3 -ENECARBALDEHYDE DERIVATIVES USEFUL AS ODORANTS GIVAUDAN SA (CH) 2008-04-24 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 (4 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-20100331427-A1 Organic Compounds C9, C5, CBR3 CYP17A1 734/4885
US-20100322889-A1 Organic Compounds CBR1, CBR3, CYP1B1 CYP17A1 91/4885
US-20100105782-A1 2,3,3-Trimethylcyclopent-3-Enecarbaldehyde Derivatives Useful as Odorants CBR3, TAS2R5, TAS2R3 CYP17A1 2209/4885
US-20110166239-A9 2,3,3-Trimethylcyclopent-3-Enecarbaldehyde Derivatives Useful as Odorants CBR3, TAS2R5, TAS2R3 CYP17A1 2209/4885

“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.