SCHEMBL27440577

SCHEMBL27440577

CCCCCCCCOc1c(Br)cc(/C=C(/C)C#N)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ S1PR2 O95136 6/20 0.44
▸ S1PR1 P21453 6/20 0.44
▸ S1PR3 Q99500 5/20 0.44
▸ LPAR2 Q9HBW0 5/20 0.44
▸ S1PR4 O95977 2/20 0.44
▸ S1PR5 Q9H228 1/20 0.44
▸ EGFR P00533 2/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ THRA P10827 2/20 0.41

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
SCHEMBL27440579 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27440566 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27440574 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27441088 0.89 EGFR (0.57) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27441075 0.89 EGFR (0.57) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27441064 0.89 EGFR (0.57) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27441083 0.89 EGFR (0.57) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27441079 0.84 KDM4E (0.71) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27441062 0.82 PTP4A1 (0.59) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL27441069 0.82 PTP4A1 (0.59) ALDH1A1MEN1KMT2AHPGDHTT

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 ALDH1A1 474/4885MEN1 4764/4885KMT2A 4205/4885

“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.

Send feedback