SCHEMBL449936

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
	SCHEMBL451746	0.89	LMNA (0.41)	ALDH1A1HPGDMEN1KMT2AAURKA
	SCHEMBL438018	0.89	TOP2A (0.38)	ALDH1A1ENPP2TOP2ATOP2BACLY
	SCHEMBL30794731	0.79	CAMK2A (0.41)	ALDH1A1KMT2ATBXA2R
	SCHEMBL448080	0.79	CAMK2A (0.41)	ALDH1A1KMT2ATBXA2R
	SCHEMBL448016	0.73	ALDH1A1 (0.41)	ALDH1A1ACLYKDM4ETP53MAPT
	SCHEMBL450312	0.72	PTGS2 (0.48)	KMT2ATBXA2R
	SCHEMBL30794451	0.72	PTGS2 (0.48)	KMT2ATBXA2R
	SCHEMBL439443	0.71	CYP2C19 (0.51)	ALDH1A1KDM4EKMT2ATBXA2RAURKA
	SCHEMBL1578768	0.70	HPGD (0.46)	ALDH1A1HPGDMEN1KMT2A
	SCHEMBL448838	0.69	CYP2C9 (0.39)	KMT2ATBXA2R

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 9 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.