SCHEMBL11422316

SCHEMBL11422316

CCCCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PRKCA P17252 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ CES2 O00748 4/20 0.39
▸ CES1 P23141 4/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ GPR84 Q9NQS5 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ TLR2 O60603 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
SCHEMBL1573319 0.95 LMNA (0.56) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL7243740 0.74 PTPN1 (0.49) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL3782935 0.72 PTPN1 (0.51) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL21197441 0.69 TSHR (0.53) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL28927137 0.68 LMNA (0.54) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL5317428 0.67 ALDH1A1 (0.54) LMNATSHRPOLBALDH1A1MAPT
SCHEMBL9844628 0.67 TSHR (0.50) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL30246161 0.64 LMNA (0.55) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL20826897 0.63 KDM4E (0.50) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL6141447 0.62 CES2 (0.50) TSHRALDH1A1HSD17B10CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9474270-B2 Methods and compositions for controlling pests Bioprosepect Limited (AU) 2016-10-25 — — US disclosed
US-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2014-11-13 — — US disclosed
US-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2012-07-19 — — US disclosed
EP-1392119-B1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS BIO GENE TECHNOLOGY LTD (AU) 2011-04-13 — — EP disclosed
US-7820209-B2 Using compositions comprising as active ingredients beta-diones, particularly beta-diketones and beta-triketones, from volatile oil-bearing plants; for preventing, eradicating, repelling or mitigating harmful or undesired pests including insects, arachnids, helminths. molluscs, protozoa, and viruses BIOPROSPECT LIMITED (AU) 2010-10-26 — — US disclosed
US-20100227009-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS BIOPROSPECT LIMITED (AU) 2010-09-09 — — US disclosed
US-20080234386-A1 Using compositions comprising as active ingredients beta-diones, particularly beta-diketones and beta-triketones, from volatile oil-bearing plants; for preventing, eradicating, repelling or mitigating harmful or undesired pests including insects, arachnids, helminths. molluscs, protozoa, and viruses BIOPROSPECT LIMITED (AU) 2008-09-25 — — 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 (4 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-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP LMNA 32/4885TSHR 4763/4885POLB 2369/4885
US-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP LMNA 32/4885TSHR 4763/4885POLB 2369/4885
US-20080234386-A1 Using compositions comprising as active ingredients beta-diones, particularly beta-diketones and beta-triketones, from volatile oil-bearing plants; for preventing, eradicating, repelling or mitigating harmful or undesired pests including insects, arachnids, helminths. molluscs, protozoa, and viruses DLK1, CYP51A1, TPSD1 LMNA 162/4885TSHR 4758/4885POLB 1984/4885
US-20100227009-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP LMNA 32/4885TSHR 4763/4885POLB 2369/4885

“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.

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