SCHEMBL10301546

SCHEMBL10301546

C=C(C)C(=O)NCCCCCCCCCCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 7/20 0.48
▸ ADRA1A P35348 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PLA2G2A P14555 2/20 0.43
▸ PRMT1 Q99873 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ PLA2G4A P47712 1/20 0.40
▸ CASP2 P42575 1/20 0.38
▸ EPHX1 P07099 4/20 0.38

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
SCHEMBL17297122 1.00 PAOX (0.48) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL9137891 0.98 PAOX (0.46) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL18769692 0.92 KDM4E (0.39) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL8775297 0.89 KDM4E (0.56) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL8775294 0.89 KDM4E (0.56) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL8775499 0.89 KDM4E (0.56) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL8775285 0.89 KDM4E (0.56) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL59429 0.89 KDM4E (0.56) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL8774992 0.89 KDM4E (0.56) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL907569 0.87 KDM4E (0.52) PAOXADRA1AKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 — — US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 — — 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-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD PAOX 3972/4885ADRA1A 4031/4885KDM4E 3444/4885

“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.

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