SCHEMBL11903206

SCHEMBL11903206

C=CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc2[nH]cc(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEP1B Q16820 1/20 0.33
▸ AGPAT2 O15120 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ LMNA P02545 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
SCHEMBL1656974 0.90 GLP1R (0.35) ALDH1A1HPGDMEP1BSMN1; SMN2KMT2A
SCHEMBL1654723 0.88 NR4A2 (0.36) PKMKDM4EMEP1BRXFP1PRKAB2
SCHEMBL11903304 0.86 ABCB11 (0.34) ALDH1A1KDM4EMEP1BSMN1; SMN2MAPK1
SCHEMBL11902297 0.86 PTGES (0.36) ALDH1A1L3MBTL1MEP1BSMN1; SMN2PTGES
SCHEMBL11903329 0.85 MEP1B (0.33) ALDH1A1HSD17B10KDM4EHPGDMEP1B
SCHEMBL11902585 0.85 DHODH (0.39) HSD17B10L3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL11903222 0.85 SMN1; SMN2 (0.34) PKMALDH1A1HSD17B10KDM4EMEP1B
SCHEMBL11913427 0.84 SMN1; SMN2 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL11902825 0.84 KMO (0.43) ALDH1A1HSD17B10KDM4EMEP1BPRKAB2
SCHEMBL11903307 0.84 PTGES (0.32) MEP1BSMN1; SMN2MAPK1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO PKM 3536/4885ALDH1A1 718/4885HSD17B10 171/4885

“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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