SCHEMBL20434232

SCHEMBL20434232

CC(=O)CCCNCCCCCNCCCCCNCCCCCNCCCCCNC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
MAPK1 P28482 1/20 0.67
HIF1A Q16665 1/20 0.67
PAOX Q6QHF9 8/20 0.64
ADRA1A P35348 1/20 0.59
TSHR P16473 1/20 0.40
CASP2 P42575 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NAMPT P43490 1/20 0.39
FOLH1 Q04609 1/20 0.39
EPHX1 P07099 3/20 0.39

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
SCHEMBL24572062 0.89 KDM4E (0.76) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12302053 0.89 KDM4E (0.76) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL17445713 0.89 KDM4E (0.76) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL16318219 0.89 KDM4E (0.76) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7046977 0.89 KDM4E (0.76) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL1687734 0.89 KDM4E (0.67) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13902111 0.87 KDM4E (0.71) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19961838 0.84 PAOX (0.78) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL16727725 0.84 PAOX (0.79) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL2128046 0.84 PAOX (0.78) KDM4EMAPK1HIF1APAOXADRA1A

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-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 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-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 KDM4E 4101/4885MAPK1 1258/4885HIF1A 1136/4885

“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.