SCHEMBL22691968

SCHEMBL22691968

N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.71
HPGD P15428 2/20 0.71
CISD1 Q9NZ45 1/20 0.71
KDM4E B2RXH2 1/20 0.71
SLC16A3 O15427 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP3A4 P08684 1/20 0.71
SLC16A1 P53985 1/20 0.71
GPR35 Q9HC97 1/20 0.71
TDP1 Q9NUW8 1/20 0.71

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
SCHEMBL22691969 1.00 EGFR (0.71) EGFRHPGDCISD1KDM4ESLC16A3
SCHEMBL4600832 0.90 EGFR (0.85) EGFRHPGDCISD1KDM4ESLC16A3
SCHEMBL10413058 0.90 EGFR (0.85) EGFRHPGDCISD1KDM4ESLC16A3
SCHEMBL4600830 0.90 EGFR (0.85) EGFRHPGDCISD1KDM4ESLC16A3
SCHEMBL28607522 0.86 EGFR (0.67) EGFRHPGDCISD1KDM4ESLC16A3
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL437568 0.83 KDM4E (1.00) EGFRHPGDCISD1KDM4ESLC16A3
SCHEMBL8749181 0.83 EGFR (1.00) EGFRHPGDCISD1KDM4ESLC16A3
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26825 0.83 KDM4E (1.00) EGFRHPGDCISD1KDM4ESLC16A3
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL28529867 0.83 KDM4E (1.00) EGFRHPGDCISD1KDM4ESLC16A3
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26826 0.83 KDM4E (1.00) EGFRHPGDCISD1KDM4ESLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12607636-B2 Carbene mass tagging NORTHEASTERN UNIVERSITY (US) 2026-04-21 US disclosed
US-20220244265-A1 CARBENE MASS TAGGING NORTHEASTERN UNIVERSITY 2022-08-04 US disclosed
WO-2020237132-A1 CARBENE MASS TAGGING NORTHEASTERN UNIVERSITY (US) 2020-11-26 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-12607636-B2 Carbene mass tagging SLCO1B3, SLCO2B1, SLCO2A1 EGFR 3412/4885HPGD 3977/4885CISD1 594/4885

“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.