SCHEMBL22691985

SCHEMBL22691985

COc1cc(N)c(C)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 6/20 0.53
HPGD P15428 2/20 0.53
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYC P01106 1/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 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
SCHEMBL1965781 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL31634578 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL29918238 0.87 KDM4E (0.53) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL7019995 0.87 KDM4E (0.53) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL6811690 0.87 KDM4E (0.49) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL9706363 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL10919244 0.85 KDM4E (0.47) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL13596372 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL29083698 0.84 KDM4E (0.46) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL866041 0.83 LCK (0.59) ALDH1A1KDM4EHPGDLCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
EP-4247789-A1 FUNGICIDAL ARYL AMIDINES Corteva Agriscience LLC (US) 2023-09-27 EP disclosed
CN-116529235-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-08-01 CN disclosed
US-20220220068-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-07-14 US disclosed
US-20220220068-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-07-14 US disclosed
WO-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
WO-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
EP-3972414-A1 FUNGICIDAL ARYL AMIDINES Corteva Agriscience LLC (US) 2022-03-30 EP disclosed
CN-113613494-A Fungicidal arylamidines 科迪华农业科技有限责任公司 2021-11-05 CN disclosed
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 US disclosed
WO-2020237131-A1 FUNGICIDAL ARYL AMIDINES DOW AGROSCIENCES LLC (US) 2020-11-26 WO disclosed
WO-2020237131-A1 FUNGICIDAL ARYL AMIDINES DOW AGROSCIENCES LLC (US) 2020-11-26 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 (3 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-20220220068-A1 FUNGICIDAL ARYL AMIDINES CYP1A1, CYP1A2, CYP1B1 ALDH1A1 105/4885KDM4E 648/4885HPGD 3589/4885
US-10925848-B2 Amide derivative IDO1, IDO2, TPH1 ALDH1A1 750/4885KDM4E 2941/4885HPGD 550/4885
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CYP1A1, CYP1A2, CYP1B1 ALDH1A1 105/4885KDM4E 648/4885HPGD 3589/4885

“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.