SCHEMBL3645946

SCHEMBL3645946

C=C1CCCC2(CCCC2)C1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL814348 0.84 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL3643484 0.82 TRPA1 (0.32) ALDH1A1MAPTGAATRPA1
SCHEMBL3640187 0.79 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL3640190 0.79 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL3643802 0.74 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL3642213 0.74 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL9798207 0.73 TRPA1 (0.36) ALDH1A1MAPTMEN1KMT2ATRPA1
SCHEMBL3643580 0.72 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1GAA
Ethyl Acetate SCHEMBL28147899 0.72 TRPA1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3421312 0.71 PTPN2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167621-B1 ORGANIC COMPOUNDS AS ODORANTS GIVAUDAN SA (CH) 2017-10-11 EP claimed
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US claimed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 US claimed
EP-2167621-B1 ORGANIC COMPOUNDS AS ODORANTS GIVAUDAN SA (CH) 2017-10-11 EP disclosed
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US disclosed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 US disclosed
EP-2167621-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-03-31 EP disclosed
WO-2008151455-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 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-20100292128-A1 Organic Compounds TRPA1, FASN, OR10J3 ALDH1A1 99/4885MAPT 2856/4885KDM4E 1851/4885

“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.