SCHEMBL424526

SCHEMBL424526

O=C(c1cc(Cl)cc(Cl)c1O)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
AKR1C1 Q04828 1/20 0.58
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS1 P23219 1/20 0.44
TBXAS1 P24557 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPK14 Q16539 1/20 0.44
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4121777 0.85 ALDH1A1 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL13696933 0.82 AKR1C2 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL4129952 0.78 NPC1 (0.43) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL4122359 0.77 CNR2 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL6141378 0.76 TSHR (0.57) ALDH1A1CYP3A4TSHRRECQLMAPK1
SCHEMBL13696934 0.75 NPC1 (0.43) AKR1C2AKR1C1TSHRCNR1CNR2
SCHEMBL9820901 0.75 CNR1 (0.49) ALDH1A1CNR1CNR2MEN1KMT2A
SCHEMBL20855926 0.74 CA1 (0.58) ALDH1A1CYP3A4HSD17B10MAPK1MEN1
SCHEMBL184603 0.74 AKR1C2 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL29375230 0.74 AKR1C2 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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

“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.