SCHEMBL23016010

SCHEMBL23016010

NCCNC1CCCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
RAD52 P43351 1/20 0.45
CXCR4 P61073 7/20 0.44
CXCL12 P48061 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
EPHX1 P07099 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
PABPC1 P11940 1/20 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
SCHEMBL13801723 1.00 KDM4E (0.46) KDM4ERAD52CXCR4CXCL12ALDH1A1
SCHEMBL1913633 1.00 KDM4E (0.46) KDM4ERAD52CXCR4CXCL12ALDH1A1
SCHEMBL5700126 1.00 KDM4E (0.46) KDM4ERAD52CXCR4CXCL12ALDH1A1
SCHEMBL24029510 1.00 KDM4E (0.46) KDM4ERAD52CXCR4CXCL12ALDH1A1
SCHEMBL197742 1.00 KDM4E (0.46) KDM4ERAD52CXCR4CXCL12ALDH1A1
Hydrochloric Acid SCHEMBL11553329 0.97 KDM4E (0.44) KDM4ERAD52CXCR4CXCL12ALDH1A1
SCHEMBL8489099 0.97
SCHEMBL10064482 0.92
Hydrochloric Acid SCHEMBL31720531 0.89
SCHEMBL17710326 0.89 CA12 (0.48) KDM4ERAD52CXCR4CXCL12ALDH1A1

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-10926248-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2021-02-23 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-10926248-B2 Far superior oxidation catalysts based on macrocyclic compounds ME3, SOD1, DUOX1 KDM4E 507/4885RAD52 495/4885CXCR4 967/4885

“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.