SCHEMBL4451128

SCHEMBL4451128

[CH]=C(C)CCC=C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALOX15 P16050 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
UGT1A1 P22309 1/20 0.38
SQLE Q14534 7/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL4451127 1.00 KMT2A (0.42) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL18955353 0.83 KMT2A (0.46) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL18955352 0.83 KMT2A (0.46) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL18955323 0.81 KMT2A (0.50) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL18955325 0.81 KMT2A (0.50) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL3699303 0.79 KMT2A (0.46) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL3699306 0.79 KMT2A (0.46) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL7683654 0.78 KMT2A (0.41) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL8700827 0.78 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10509053 0.78 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US claimed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US claimed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP claimed
EP-2825661-B1 PROCESS FOR PREPARING TERPENE NITRILES FROM TERPENE OXIMES EMPLOYING AN ALDOXIME DEHYDRATASE BASF SE (DE) 2016-05-18 EP disclosed
US-9080191-B2 Method for biocatalytic production of nitriles from oximes and oxime dehydratases usable therein BASF SE (DE) 2015-07-14 US disclosed
EP-2825661-A1 METHOD FOR PRODUCING TERPENE NITRILES FROM TERPENE OXIMES USING AN ALDOXIME DEHYDRATASE BASF SE (DE) 2015-01-21 EP disclosed
US-20130244298-A1 METHOD FOR BIOCATALYTIC PRODUCTION OF NITRILES FROM OXIMES AND OXIME DEHYDRATASES USABLE THEREIN BASF SE (DE) 2013-09-19 US disclosed
WO-2013135601-A1 METHOD FOR PRODUCING TERPENE NITRILES FROM TERPENE OXIMES USING AN ALDOXIME DEHYDRATASE BASF SE (DE) 2013-09-19 WO disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 KMT2A 2984/4885ALOX15 513/4885MAPT 3633/4885

“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.