SCHEMBL1496961

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
	SCHEMBL1497447	0.93	HDAC1 (0.35)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL13456917	0.92	PDCD1 (0.40)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL1497457	0.91	PDCD1 (0.37)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL1497069	0.90	PDCD1 (0.36)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL7989983	0.90	HDAC1 (0.36)	PDCD1CD274ROCK1HDAC1CKS1B
	SCHEMBL1496967	0.90	HTR5A (0.40)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL1497071	0.89	ROCK2 (0.39)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL1497106	0.89	ROCK1 (0.38)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL1497091	0.89	TRPA1 (0.38)	PDCD1CD274ROCK1HDAC1ROCK2
	SCHEMBL1496862	0.88	HTR5A (0.40)	PDCD1CD274ROCK1HDAC1ROCK2

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 10 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.