SCHEMBL21891807

SCHEMBL21891807

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
PAOX Q6QHF9 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL13886319 0.93 KDM4E (0.32) KDM4EMAPK1HIF1A
SCHEMBL14591103 0.83 SIGMAR1 (0.36)
SCHEMBL22603233 0.81
SCHEMBL25907861 0.80 MAOA (0.32) KDM4EMAPK1HIF1A
SCHEMBL26547854 0.80 KDM4E (0.30) KDM4EMAPK1HIF1A
SCHEMBL19084902 0.80 KDM4E (0.30) KDM4EMAPK1HIF1A
SCHEMBL24103200 0.80 KDM4E (0.52) KDM4EMAPK1HIF1APAOXMEN1
SCHEMBL7766885 0.79 KDM4E (0.40) KDM4EMAPK1HIF1APAOXMEN1
SCHEMBL23945710 0.78 KDM4E (0.33) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL21991783 0.78 KDM4E (0.33) KDM4EMAPK1HIF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20210038611-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2021-02-11 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 KDM4E 77/4885MAPK1 4293/4885HIF1A 1640/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 KDM4E 77/4885MAPK1 4293/4885HIF1A 1640/4885
US-20230138480-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB KDM4E 1848/4885MAPK1 4411/4885HIF1A 3022/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB KDM4E 1848/4885MAPK1 4411/4885HIF1A 3022/4885

“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.