SCHEMBL22259727

SCHEMBL22259727

CCCCOc1ccc(C=C(C#N)C#N)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.59
FDPS P14324 5/20 0.53
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 4/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
NFKB1 P19838 2/20 0.51
BLM P54132 2/20 0.51
PMP22 Q01453 2/20 0.51
TSHR P16473 1/20 0.51
APEX1 P27695 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
RGS12 O14924 1/20 0.50
GMNN O75496 1/20 0.50

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
SCHEMBL27441151 0.96 EGFR (0.58) EGFRFDPSALDH1A1KDM4EHPGD
SCHEMBL27441100 0.95 EGFR (0.57) EGFRFDPSALDH1A1KDM4EHPGD
SCHEMBL27441142 0.95 EGFR (0.57) EGFRFDPSALDH1A1KDM4EHPGD
SCHEMBL27440581 0.88 FDPS (0.52) EGFRFDPSALDH1A1KDM4EHPGD
SCHEMBL10615624 0.88 EGFR (0.61) EGFRFDPSALDH1A1KDM4EHPGD
SCHEMBL13936251 0.87 EGFR (0.64) EGFRFDPSALDH1A1KDM4EHPGD
SCHEMBL27440607 0.84 FDPS (0.51) EGFRFDPSALDH1A1KDM4EHPGD
SCHEMBL8103856 0.84 EGFR (0.76) EGFRALDH1A1KDM4EHPGDMAPT
SCHEMBL22259700 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL27440583 0.83 FDPS (0.50) FDPSALDH1A1KDM4EHPGDMAPT

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 5 patents. 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
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 US disclosed
US-11325901-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-05-10 US disclosed
US-11220497-B2 2022-01-11 US disclosed
US-20200231583-A1 Prostaglandin E Synthase Inhibitors and Methods for Utilizing the Same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-07-23 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 (4 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-11325901-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 EGFR 4261/4885FDPS 203/4885ALDH1A1 474/4885
US-11220497-B2 PTGES, PTGS1, PTGES2 EGFR 4553/4885FDPS 255/4885ALDH1A1 551/4885
US-20200231583-A1 Prostaglandin E Synthase Inhibitors and Methods for Utilizing the Same PTGES, PTGS1, PTGES2 EGFR 4261/4885FDPS 203/4885ALDH1A1 474/4885
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 EGFR 4261/4885FDPS 203/4885ALDH1A1 474/4885

“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.