SCHEMBL27224540

SCHEMBL27224540

CCOC(=O)C(C)=C(C)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NAAA Q02083 1/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CDC7 O00311 2/20 0.41
▸ DBF4 Q9UBU7 2/20 0.41
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NAMPT P43490 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
SCHEMBL27224516 0.85 KMT2A (0.46) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL9721404 0.81 ALDH1A1 (0.59) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL21734206 0.81 ALDH1A1 (0.59) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL3933998 0.81 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL9721402 0.81 ALDH1A1 (0.59) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL3254725 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL3254726 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL30930824 0.80 L3MBTL1 (0.52) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL30930821 0.80 L3MBTL1 (0.52) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL22056211 0.80 ESR1 (0.61) KMT2AALDH1A1MAPTMEN1SMN1; SMN2

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-20240217932-A1 PYRIDIUM ESTERS THE PROCTER AND GAMBLE COMPANY 2024-07-04 — — US disclosed
EP-4374698-A1 PYRIDINIUM ESTERS The Procter & Gamble Company (US) 2024-05-29 — — EP 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-20240217932-A1 PYRIDIUM ESTERS C5, CBR3, CHRM1 KMT2A 3425/4885KDM4E 1739/4885ALDH1A1 2024/4885

“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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