SCHEMBL23247716

SCHEMBL23247716

COc1cc(Oc2cccc(Br)c2CCCCC(F)(F)F)ncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ L3MBTL1 Q9Y468 5/20 0.35
▸ HPGD P15428 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.32
▸ TSHR P16473 1/20 0.30

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
SCHEMBL29808506 1.00 KDR (0.36) KDRMAPK14TNNI3KMAPTL3MBTL1
SCHEMBL24786607 0.84 SCN9A (0.36) KDRMAPK14TNNI3KALDH1A1
SCHEMBL18284583 0.81 HTR2A (0.38) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL23370326 0.73 ADORA2A (0.35) KDRMAPK14TNNI3KALDH1A1
SCHEMBL29551489 0.73 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C19HSP90AA1HSP90AB1
SCHEMBL22691166 0.73 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C19HSP90AA1HSP90AB1
SCHEMBL23370441 0.71 NPC1 (0.35) KDRMAPK14TNNI3KL3MBTL1NPC1
SCHEMBL12825945 0.70 KEAP1 (0.51) KDRMAPK14TNNI3KMAPTL3MBTL1
SCHEMBL23370324 0.70 ALDH1A1 (0.34) KDRMAPK14TNNI3KHPGDALDH1A1
SCHEMBL12825961 0.67 SMN1; SMN2 (0.55) MAPTHPGDNPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045497-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-22 — — EP disclosed
US-20220400676-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-12-22 — — US disclosed
US-20220400676-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-12-22 — — US disclosed
WO-2021074325-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-22 — — 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 (1 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-20220400676-A1 HERBICIDAL COMPOUNDS DDT, NQO2, CBR3 KDR 3551/4885MAPK14 4064/4885TNNI3K 3255/4885

“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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