SCHEMBL17900560

SCHEMBL17900560

COc1cc(C)ccc1[C@@H](Oc1ccc(C)cc1Cl)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ CRHR1 P34998 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ LPAR1 Q92633 2/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL17900564 0.94 TAS1R3 (0.35) TAS1R3TAS1R1ALDH1A1MAPTKMT2A
SCHEMBL17900631 0.85 RORC (0.43) TAS1R3TAS1R1MEN1ALDH1A1MAPT
SCHEMBL17900781 0.85 LPAR1 (0.40) MEN1KMT2AL3MBTL1LPAR1
SCHEMBL17900665 0.85 TAS1R3 (0.40) TAS1R3TAS1R1MEN1HPGDKMT2A
SCHEMBL17900776 0.81 CTSA (0.38) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL17900563 0.81 TAS1R3 (0.35) TAS1R3TAS1R1ALDH1A1CYP2C9CYP2C19
SCHEMBL17900711 0.81 ALDH1A1 (0.42) TAS1R3TAS1R1MEN1ALDH1A1MAPT
SCHEMBL17902237 0.80 LPAR1 (0.40) TAS1R3TAS1R1ACHELPAR1
SCHEMBL20348365 0.78 LPAR1 (0.38) ACHELPAR1
SCHEMBL17905560 0.78 RORC (0.35) TAS1R3TAS1R1MEN1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
US-10173981-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
WO-2016109305-A1 USE OF PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109304-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — 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-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 TAS1R3 1246/4885TAS1R1 1444/4885CRHR1 3123/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 TAS1R3 1121/4885TAS1R1 1325/4885CRHR1 2685/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 TAS1R3 1246/4885TAS1R1 1444/4885CRHR1 3123/4885

“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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