SCHEMBL4891652

SCHEMBL4891652

CCCCCCCCC[CH]C(C)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
PRKCA P17252 3/20 0.44
EP300 Q09472 1/20 0.44
FAAH O00519 3/20 0.43
TERT O14746 3/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
PPARG P37231 2/20 0.43
KMT2A Q03164 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL7027317 0.80 ASAH2 (0.48) LMNAPRKCAFAAHTERTCYP1A2
SCHEMBL7022930 0.80 ASAH2 (0.48) LMNAPRKCAFAAHTERTCYP1A2
SCHEMBL7022923 0.80 ASAH2 (0.48) LMNAPRKCAFAAHTERTCYP1A2
SCHEMBL9997844 0.77 EP300 (0.44) LMNAPRKCAEP300FAAHTERT
SCHEMBL9997651 0.77 EP300 (0.44) LMNAPRKCAEP300FAAHTERT
SCHEMBL9997653 0.77 EP300 (0.44) LMNAPRKCAEP300FAAHTERT
SCHEMBL9997846 0.77 EP300 (0.44) LMNAPRKCAEP300FAAHTERT
SCHEMBL8844592 0.77 F7 (0.51) LMNAPRKCAFAAHTERTCYP1A2
SCHEMBL27984797 0.76 EP300 (0.45) LMNAEP300FAAHTERTCYP1A2
SCHEMBL233313 0.76 EP300 (0.45) LMNAEP300FAAHTERTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917928-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ISAGRO S.p.A. (IT) 2021-12-08 EP disclosed
WO-2020157668-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2020-08-06 WO disclosed
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20080167374-A1 PESTICIDE COMPOSITION AND METHOD OF USE LOVELAND PRODUCTS, INC. (US) 2008-07-10 US disclosed
US-6818670-B2 THE NOVEL ACTIVE COMPOUND COMBINATIONS OF CERTAIN CYCLIC KETOENOLS AND THE ACTIVE COMPOUNDS (1) TO (95) LISTED IN THE DESCRIPTION HAVE VERY GOOD INSECTICIDAL AND ACARICIDAL PROPERTIES. BAYER AKTIENGESELLSCHAFT (DE) 2004-11-16 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-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners ACHE, NCS1, HCN1 LMNA 3078/4885PRKCA 1899/4885EP300 1660/4885

“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.