SCHEMBL6310355 — 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
▸	CYP1A2	P05177	2/20	0.40

▸	CYP2D6	P10635	2/20	0.40

▸	CYP3A4	P08684	1/20	0.40

▸	ALOX15	P16050	1/20	0.40

▸	CYP2C19	P33261	1/20	0.40

▸	NPSR1	Q6W5P4	1/20	0.39

▸	LMNA	P02545	3/20	0.38

▸	POLB	P06746	1/20	0.38

▸	CA12	O43570	1/20	0.38

▸	CA2	P00918	1/20	0.38

▸	CA9	Q16790	1/20	0.38

▸	ALDH1A1	P00352	8/20	0.38

▸	TDP1	Q9NUW8	2/20	0.38

▸	CYP2C9	P11712	2/20	0.38

▸	ALB	P02768	1/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	RAB9A	P51151	2/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	SNCA	P37840	1/20	0.35

▸	KDM4E	B2RXH2	2/20	0.34

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
SCHEMBL14940700	0.89	ALDH1A1 (0.43)	NPSR1LMNACA2ALDH1A1TDP1
SCHEMBL17870952	0.86	NPSR1 (0.41)	CYP1A2NPSR1LMNAPOLBALDH1A1
SCHEMBL2771666	0.77	MCHR1 (0.43)	CYP1A2CYP2D6CYP3A4ALOX15CYP2C19
SCHEMBL6667980	0.73	CA2 (0.50)	CYP1A2CYP2D6CYP3A4ALOX15CYP2C19
Butane SCHEMBL27630383	0.71	GAA (0.52)	CYP1A2CYP2D6CYP3A4CYP2C19LMNA
SCHEMBL30513488	0.70	CYP2D6 (0.50)	CYP1A2CYP2D6CYP3A4ALOX15CYP2C19
Butane SCHEMBL9425260	0.69	ALDH1A1 (0.50)	CYP1A2CYP2D6CYP3A4CYP2C19LMNA
Propane SCHEMBL3563886	0.69	GAA (0.54)	CYP1A2CYP2D6CYP3A4CYP2C19LMNA
Propane SCHEMBL28408609	0.69	GAA (0.54)	CYP1A2CYP2D6CYP3A4CYP2C19LMNA
Isobutyramide SCHEMBL6491554	0.68	CYP2D6 (0.53)	CYP1A2CYP2D6CYP3A4ALOX15CYP2C19

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
WO-2015013780-A1	COMPOSITION COMPRISING AN AMINOSILICONE, A CATIONIC SURFACTANT AND A CATIONIC ASSOCIATIVE POLYMER	L' OREAL (FR)	2015-02-05	—	—	WO	disclosed
US-20050125912-A1	Dyeing composition for keratinous fibers comprising an oxyethylene rapeseed fatty acid amide	L'OREAL S.A. (FR)	2005-06-16	—	—	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-20050125912-A1	Dyeing composition for keratinous fibers comprising an oxyethylene rapeseed fatty acid amide	KRT18, ELOVL5, FADS1	CYP1A2 186/4885CYP2D6 344/4885CYP3A4 631/4885

“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.