SCHEMBL4539902 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 BMX BRAF BTK CHRNA4 CHRNB2 CSNK1E EGFR ERBB2 F10 FLT1 FLT3 FLT4 IGF1R INSR ITK JAK3 KDR KIT OPRM1 PARP1 PARP2 PDGFRB PIK3CD RAF1 RET SLC18A2 TEC TXK dacA dacB dacC ftsI mrcA mrcB mrdA rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	3/20	0.39

▸	MCHR1	Q99705	1/20	0.39

▸	GLA	P06280	1/20	0.37

▸	SMN1; SMN2	Q16637	2/20	0.36

▸	L3MBTL1	Q9Y468	3/20	0.35

▸	LMNA	P02545	2/20	0.35

▸	TDP1	Q9NUW8	2/20	0.35

▸	CYP2C9	P11712	2/20	0.35

▸	ALB	P02768	1/20	0.35

▸	TSHR	P16473	1/20	0.35

▸	S1PR3	Q99500	1/20	0.35

▸	CNR2	P34972	1/20	0.35

▸	CA2	P00918	2/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	MAPT	P10636	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	CYP2D6	P10635	1/20	0.34

▸	MAPK1	P28482	1/20	0.34

▸	CYP1A2	P05177	1/20	0.34

▸	PRSS1	P07477	2/20	0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL8724937	0.88	MCHR1 (0.46)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL11016054	0.88	MCHR1 (0.46)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL4247159	0.85	GLA (0.43)	ALDH1A1GLASMN1; SMN2L3MBTL1LMNA
SCHEMBL3189555	0.82	ALDH1A1 (0.42)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7210456	0.81	MCHR1 (0.44)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL11787716	0.81	MCHR1 (0.44)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
Decane SCHEMBL17004268	0.79	MCHR1 (0.56)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
Dodecane SCHEMBL7126605	0.79	MCHR1 (0.56)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
Octane SCHEMBL8462698	0.79	MCHR1 (0.56)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA
Tetradecane SCHEMBL29089041	0.79	MCHR1 (0.56)	ALDH1A1MCHR1SMN1; SMN2L3MBTL1LMNA

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20090171111-A1	Method for Producing Sodium Chloride-Free Ammonium Nitriles	CLARIANT FINANCE (BVI) LIMITED (VG)	2009-07-02	—	—	US	disclosed

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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20090171111-A1	Method for Producing Sodium Chloride-Free Ammonium Nitriles	CBR3, MSRB3, CBR1	ALDH1A1 2112/4885MCHR1 462/4885GLA 4729/4885

“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.