SCHEMBL16797693

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
	SCHEMBL10249906	0.85	TSHR (0.47)	TSHRALDH1A1NLRP3CASP1MEN1
	SCHEMBL28866732	0.84	TSHR (0.58)	CA12CA1CA2CA7CA9
	SCHEMBL312971	0.83	POLB (0.48)	TSHRALDH1A1NLRP3MEN1KMT2A
	SCHEMBL7529144	0.83	TSHR (0.44)	TSHRALDH1A1NLRP3CASP1MEN1
	SCHEMBL3224732	0.83	NLRP3 (0.44)	TSHRALDH1A1NLRP3CASP1NPC1
	SCHEMBL8771003	0.83	CASP1 (0.57)	TSHRALDH1A1NLRP3CASP1MEN1
	SCHEMBL28655061	0.80	PTPN1 (0.47)	TSHRALDH1A1NLRP3MEN1NPC1
	SCHEMBL8292268	0.80	CYP4F2 (0.43)	TSHRALDH1A1NLRP3CASP1MEN1
	SCHEMBL27924168	0.80	TNF (0.49)	TSHRALDH1A1F2
	SCHEMBL16797608	0.79	THRA (0.40)	CA12CA1CA2CA7CA9

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 11 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.