SCHEMBL2987618

SCHEMBL2987618

C/C(=C\CO)CCC1CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
UGT1A1 P22309 1/20 0.41
PTPN1 P18031 1/20 0.34
LSS P48449 3/20 0.34

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
SCHEMBL2987624 1.00 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL13949347 1.00 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL13949345 1.00 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL13949348 1.00 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL13949349 1.00 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL7536904 0.82 LSS (0.33) LSS
SCHEMBL7536907 0.82 LSS (0.33) LSS
SCHEMBL15978564 0.78 LSS (0.41) KMT2APTPN1LSS
SCHEMBL13409658 0.74 ALDH1A1 (0.42) ALDH1A1PTPN1
SCHEMBL13409665 0.74 ALDH1A1 (0.42) ALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777084-B2 Cyclopropanation process GIVAUDAN SA (CH) 2010-08-17 US disclosed
US-7777084-B2 Cyclopropanation process GIVAUDAN SA (CH) 2010-08-17 US disclosed
US-7777084-B2 Cyclopropanation process GIVAUDAN SA (CH) 2010-08-17 US disclosed
EP-1828087-B1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2008-12-03 EP disclosed
EP-1828087-B1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2008-12-03 EP disclosed
US-20080275256-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2008-11-06 US disclosed
US-20080275256-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2008-11-06 US disclosed
US-20080275256-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2008-11-06 US disclosed
EP-1828087-A1 CYCLOPROPANATION PROCESS Givaudan SA (CH) 2007-09-05 EP disclosed
WO-2006066436-A1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2006-06-29 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-20080275256-A1 Cyclopropanation Process C9, TRPA1, HACL2 MEN1 2891/4885CYP3A4 380/4885ALOX15 25/4885

“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.