SCHEMBL27441079

SCHEMBL27441079

CCCCCCCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.71
▸ PKM P14618 2/20 0.71
▸ CYP1A2 P05177 1/20 0.53
▸ EGFR P00533 9/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ERBB2 P04626 8/20 0.47
▸ PTP4A3 O75365 2/20 0.45
▸ PTP4A2 Q12974 2/20 0.45
▸ PTP4A1 Q93096 2/20 0.45

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
SCHEMBL27441080 0.88 PTP4A1 (0.59) KDM4EPKMEGFRALDH1A1SMN1; SMN2
SCHEMBL27441062 0.88 PTP4A1 (0.59) KDM4EPKMEGFRALDH1A1SMN1; SMN2
SCHEMBL27441069 0.88 PTP4A1 (0.59) KDM4EPKMEGFRALDH1A1SMN1; SMN2
SCHEMBL27441085 0.88 PTP4A1 (0.59) KDM4EPKMEGFRALDH1A1SMN1; SMN2
SCHEMBL27441088 0.85 EGFR (0.57) KDM4EPKMCYP1A2EGFRALDH1A1
SCHEMBL27441075 0.85 EGFR (0.57) KDM4EPKMCYP1A2EGFRALDH1A1
SCHEMBL27441083 0.85 EGFR (0.57) KDM4EPKMCYP1A2EGFRALDH1A1
SCHEMBL27441064 0.85 EGFR (0.57) KDM4EPKMCYP1A2EGFRALDH1A1
SCHEMBL22259980 0.84 KDM4E (0.75) KDM4EPKMCYP1A2EGFRALDH1A1
SCHEMBL27440577 0.84 ALDH1A1 (0.52) KDM4EPKMEGFRALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 — — 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-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 KDM4E 2780/4885PKM 1506/4885CYP1A2 46/4885

“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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