SCHEMBL4516113 — 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
▸	EGFR known ✓	P00533	1/20	0.33

▸	ERBB2 known ✓	P04626	1/20	0.33

▸	CYP1A2	P05177	5/20	0.42

▸	CYP2C9	P11712	2/20	0.42

▸	ALDH1A1	P00352	5/20	0.41

▸	LMNA	P02545	2/20	0.38

▸	KDM4E	B2RXH2	1/20	0.38

▸	MAPT	P10636	1/20	0.38

▸	HTT	P42858	1/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.38

▸	TDP1	Q9NUW8	1/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.38

▸	CYP2D6	P10635	4/20	0.37

▸	SNCA	P37840	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	CYP2C19	P33261	3/20	0.34

▸	GAA	P10253	2/20	0.34

▸	KMT2A	Q03164	2/20	0.34

▸	CYP3A4	P08684	2/20	0.33

▸	CA1	P00915	1/20	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
SCHEMBL4525399	0.99	ALDH1A1 (0.42)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E
SCHEMBL4516107	0.87	ALDH1A1 (0.42)	CYP2C9ALDH1A1LMNAKDM4EHTT
SCHEMBL4525396	0.85	ALDH1A1 (0.43)	CYP2C9ALDH1A1LMNAKDM4EHTT
SCHEMBL16592456	0.79	CYP1A2 (0.43)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E
Tetraethylene Glycol SCHEMBL3062384	0.77	ALDH1A1 (0.49)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E
Hexaethylene Glycol SCHEMBL11280667	0.77	ALDH1A1 (0.49)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E
SCHEMBL11674046	0.77	ALDH1A1 (0.49)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E
Triethylene Glycol SCHEMBL6130636	0.77	ALDH1A1 (0.49)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E
Tetraethylene Glycol SCHEMBL1145155	0.77	ALDH1A1 (0.49)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E
Hexaethylene Glycol SCHEMBL4379136	0.77	ALDH1A1 (0.49)	CYP1A2CYP2C9ALDH1A1LMNAKDM4E

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20090099044-A1	Nanoparticles and Method to Control Nanoparticle Spacing	OREGON, UNIVERSITY OF	2009-04-16	—	—	US	disclosed
WO-2006127675-A2	NANOPARTICLES AND METHOD TO CONTROL NANOPARTICLE SPACING	STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US)	2006-11-30	—	—	WO	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-20090099044-A1	Nanoparticles and Method to Control Nanoparticle Spacing	ICAM1, L1CAM, EPCAM	EGFR 1524/4885ERBB2 2452/4885CYP1A2 2774/4885

“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.