SCHEMBL49790

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
	SCHEMBL10520469	0.90	CYP1A2 (0.46)	CYP1A2CYP2C19CYP2C9TLR8KMT2A
	1,2-Dibutoxybenzene SCHEMBL1226749	0.83	CYP1A2 (0.72)	CYP1A2CYP2C19CYP2C9TLR8LTA4H
	1,2-Dibutoxybenzene SCHEMBL29428927	0.83	CYP1A2 (0.72)	CYP1A2CYP2C19CYP2C9TLR8LTA4H
	SCHEMBL9362379	0.82	CYP1A2 (0.51)	CYP1A2CYP2C19CYP2C9TLR8LTA4H
	SCHEMBL49553	0.81	ALDH1A1 (0.54)	CYP1A2CYP2C19TLR8KMT2AMAPT
	1,2-Dibutoxybenzene SCHEMBL6236324	0.81	CYP1A2 (0.69)	CYP1A2CYP2C19CYP2C9TLR8LTA4H
	SCHEMBL30279573	0.80	CYP1A2 (0.50)	CYP1A2CYP2C19CYP2C9TLR8LTA4H
	1-Propoxy-2-Butoxybenzene SCHEMBL2846696	0.79	CYP1A2 (0.67)	CYP1A2CYP2C19CYP2C9TLR8LTA4H
	SCHEMBL27692693	0.78	LMNA (0.54)	CYP1A2CYP2C19CYP2C9TLR8LTA4H
	SCHEMBL11573790	0.78	CYP1A2 (0.47)	CYP1A2CYP2C19CYP2C9TLR8LTA4H

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 7 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 (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.

“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.