SCHEMBL1413554

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.

	Compound	similarity	top predicted	shared targets
	SCHEMBL1413651	0.92	CXCR4 (0.54)	CXCR4CA1CA2CA12CA9
	SCHEMBL12810531	0.90	HTR6 (0.53)	CXCR4CA1CA2CA12CA9
	SCHEMBL1413909	0.89	HDAC1 (0.48)	CXCR4SMN1; SMN2HTR6RORCL3MBTL1
	SCHEMBL1413828	0.89	HTR6 (0.58)	CXCR4CA1CA2CA12CA9
	SCHEMBL1413660	0.88	CXCR4 (0.48)	CXCR4CA1CA2CA12CA9
	SCHEMBL1413685	0.88	CXCR4 (0.52)	CXCR4HTR6ALDH1A1MEN1LMNA
	SCHEMBL12810342	0.87	ALDH1A1 (0.49)	CXCR4CA1CA2HTR6ALDH1A1
	Hydrochloric Acid SCHEMBL4009397	0.87	CXCR4 (0.48)	CXCR4CA1CA2HTR6ALDH1A1
	SCHEMBL1413723	0.87	CXCR4 (0.49)	CXCR4CA1CA2CA12CA9
	SCHEMBL1413819	0.87	HTR6 (0.60)	CXCR4CA1CA2CA12CA9

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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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.

“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.