SCHEMBL19084902

SCHEMBL19084902

C=C(NCCCCC(C)(C)C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL23945710 0.98 KDM4E (0.33) KDM4EMAPK1HIF1A
SCHEMBL20647303 0.98 KDM4E (0.33) KDM4EMAPK1HIF1A
SCHEMBL21991783 0.98 KDM4E (0.33) KDM4EMAPK1HIF1A
SCHEMBL23945983 0.98 KDM4E (0.33) KDM4EMAPK1HIF1A
SCHEMBL26748315 0.87 CA3 (0.32)
SCHEMBL24429310 0.84 SIGMAR1 (0.35)
SCHEMBL19380753 0.80 EPHX1 (0.46)
SCHEMBL21891807 0.80 KDM4E (0.36) KDM4EMAPK1HIF1A
SCHEMBL23945907 0.78 EPHX1 (0.50)
SCHEMBL20440154 0.78 EPHX1 (0.50)

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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 US disclosed
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-04-30 US disclosed
WO-2019079701-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITYFOR THE BROMODOMAIN OF BRD4 DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 WO disclosed
US-10010562-B2 Dual molecular delivery of oligonucleotides and peptide containing conjugates MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-07-06 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-10010562-B2 Dual molecular delivery of oligonucleotides and peptide containing conjugates DCLRE1A, DCLRE1B, LNPEP KDM4E 4035/4885MAPK1 4115/4885HIF1A 1011/4885
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP KDM4E 3860/4885MAPK1 3061/4885HIF1A 1715/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP KDM4E 4586/4885MAPK1 2414/4885HIF1A 1671/4885
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES DCLRE1A, DCLRE1B, LNPEP KDM4E 4035/4885MAPK1 4115/4885HIF1A 1011/4885

“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.