SCHEMBL4940951

SCHEMBL4940951

CC(C)=CCCC(C)CC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GGPS1 O95749 2/20 0.47
FDPS P14324 2/20 0.47
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 2/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL1478231 1.00 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL1477739 1.00 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL10730947 0.90 FNTA (0.50) ALOX15ALDH1A1POLB
SCHEMBL10730955 0.90 FNTA (0.50) ALOX15ALDH1A1POLB
SCHEMBL10750006 0.90 FNTA (0.50) ALOX15ALDH1A1POLB
SCHEMBL6050718 0.83 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL5136231 0.83 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL4608511 0.83 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL991834 0.83 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL193354 0.82 ALOX15 (0.55) ALOX15ALDH1A1GGPS1FDPSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064169-B1 RECOVERY OF BIS(DIARYLPHENOL) LIGANDS DURING THE PRODUCTION OF ISOPULEGOL BASF SE (DE) 2016-03-23 EP disclosed
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-2612923-A1 METHOD FOR SEARCHING FOR MALODOR CONTROL AGENT, MALODOR CONTROL AGENT, AND MALODOR CONTROL METHOD Kao Corporation (JP) 2013-07-10 EP disclosed
EP-1802561-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2011-01-12 EP disclosed
EP-1858903-B1 DIARYLPHENOXY ALUMINUM COMPOUNDS BASF SE (DE) 2008-10-08 EP disclosed
WO-2008088314-A2 A COMPOSITION FOR THE TREATMENT AND PREVENTION OF PEPTIC ULCER MEDIGREEN BIOTECHNOLOGY CORP. (TW) 2008-07-24 WO disclosed
US-20080145409-A1 COMPOSITION FOR THE TREATMENT AND PREVENTION OF PEPTIC ULCER MEDIGREEN BIOTECHNOLOGY CORP. (TW) 2008-06-19 US 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-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 ALOX15 2823/4885ALDH1A1 232/4885GGPS1 3711/4885

“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.