SCHEMBL421965

SCHEMBL421965

CC(C)C(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
RECQL P46063 2/20 0.48
HPGD P15428 2/20 0.46
TBXAS1 P24557 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPK14 Q16539 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
FFAR1 O14842 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL4120602 0.85 FFAR1 (0.42) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL13696932 0.83 AKR1C2 (0.42) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL11805248 0.82 AKR1C4 (0.62) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL30689749 0.81 THRB (0.52) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL27201903 0.81 THRB (0.52) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL4121477 0.79 AKR1C2 (0.40) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL29613154 0.78 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL659333 0.78 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL14866349 0.77 FFAR1 (0.42) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL31448704 0.76 GPR35 (0.54) ALDH1A1HSD17B10MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399986-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-09-03 US disclosed
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-05-10 US disclosed
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-05-10 US disclosed
US-9777006-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-10-03 US disclosed
US-9777006-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-10-03 US disclosed
US-20160068534-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
EP-2376435-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2011-10-19 EP disclosed
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2010083316-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 AKR1C4 636/4885AKR1C3 420/4885AKR1C2 704/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 AKR1C4 494/4885AKR1C3 420/4885AKR1C2 584/4885
US-20160068534-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R AKR1C4 401/4885AKR1C3 584/4885AKR1C2 999/4885
US-10399986-B2 Inhibitors of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R AKR1C4 407/4885AKR1C3 588/4885AKR1C2 1017/4885
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R AKR1C4 407/4885AKR1C3 588/4885AKR1C2 1017/4885

“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.