SCHEMBL14872275

SCHEMBL14872275

CC(C)(C)c1cc(C(C)(C)C)c(C#N)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 18/20 0.79
▸ ALDH1A1 P00352 15/20 0.79
▸ GAA P10253 14/20 0.79
▸ GLA P06280 13/20 0.79
▸ HPGD P15428 12/20 0.79
▸ TP53 P04637 1/20 0.54
▸ ATM Q13315 2/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ DAO P14920 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
SCHEMBL29331830 0.82 KDM4E (0.55) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2199168 0.74 KDM4E (0.55) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL15492448 0.74 ATM (0.64) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2199412 0.73 KDM4E (0.54) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2198100 0.73 GLA (0.54) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2200567 0.71 KDM4E (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2201226 0.70 KDM4E (0.50) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL20339594 0.70 KDM4E (0.62) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL562812 0.70 KDM4E (1.00) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2202978 0.70 PIM1 (0.50) KDM4EALDH1A1GAAGLAHPGD

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-11465960-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2022-10-11 — — US disclosed
US-20200392063-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2020-12-17 — — US disclosed
US-10793503-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2020-10-06 — — US disclosed
US-20170029355-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC 2017-02-02 — — US disclosed
US-20170029355-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC 2017-02-02 — — US disclosed
US-9402396-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2016-08-02 — — US disclosed
US-9402396-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2016-08-02 — — US disclosed
US-20140256549-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2014-09-11 — — US disclosed
US-20140256549-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2014-09-11 — — US disclosed
WO-2013055944-A2 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2013-04-18 — — 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 (5 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-11465960-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement APEH, GUSB, CES2 KDM4E 726/4885ALDH1A1 69/4885GAA 12/4885
US-20200392063-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 KDM4E 726/4885ALDH1A1 69/4885GAA 12/4885
US-20170029355-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 KDM4E 726/4885ALDH1A1 69/4885GAA 12/4885
US-10793503-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement APEH, GUSB, CES2 KDM4E 726/4885ALDH1A1 69/4885GAA 12/4885
US-20140256549-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 KDM4E 726/4885ALDH1A1 69/4885GAA 12/4885

“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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