SCHEMBL3354658 — predicted protein targets

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.33

▸	LMNA	P02545	2/20	0.33

▸	SIRT1	Q96EB6	2/20	0.33

▸	SIRT2	Q8IXJ6	1/20	0.33

▸	CCR1	P32246	2/20	0.32

▸	WNT3A	P56704	1/20	0.32

▸	TNKS2	Q9H2K2	1/20	0.32

▸	CTSS	P25774	1/20	0.32

▸	CTSK	P43235	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	KDM4E	B2RXH2	1/20	0.32

▸	SHMT2	P34897	1/20	0.31

▸	MC4R	P32245	1/20	0.31

▸	MTNR1B	P49286	1/20	0.31

▸	CHRM1	P11229	1/20	0.31

▸	CHEK1	O14757	1/20	0.31

▸	POLB	P06746	1/20	0.31

▸	HSD17B10	Q99714	1/20	0.31

▸	MGLL	Q99685	1/20	0.31

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
SCHEMBL3354390	0.92	CCR1 (0.33)	ALDH1A1LMNACCR1WNT3ATNKS2
SCHEMBL3358681	0.92	LMNA (0.35)	ALDH1A1LMNACCR1WNT3ATNKS2
SCHEMBL3358227	0.91	LMNA (0.34)	ALDH1A1LMNASIRT1CCR1WNT3A
SCHEMBL3355350	0.91	SIRT1 (0.34)	ALDH1A1LMNASIRT1SIRT2CCR1
SCHEMBL3356436	0.89	KMT2A (0.34)	ALDH1A1LMNACCR1WNT3ATNKS2
SCHEMBL3355341	0.89	ALDH1A1 (0.34)	ALDH1A1SIRT1SIRT2MC4RMTNR1B
SCHEMBL3353011	0.89	LMNA (0.34)	ALDH1A1LMNACCR1WNT3ATNKS2
SCHEMBL3354638	0.89	ALDH1A1 (0.35)	ALDH1A1LMNACCR1CTSSCTSK
SCHEMBL3354423	0.88	LMNA (0.37)	ALDH1A1LMNACCR1WNT3ATNKS2
SCHEMBL3355555	0.87	CCR1 (0.34)	ALDH1A1LMNACCR1CTSSCTSK

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20100152160-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	KHAMRAI UTTAM	2010-06-17	—	—	US	claimed
WO-2010068881-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	FOREST LABORATORIES HOLDINGS LIMITED (BM)	2010-06-17	—	—	WO	claimed
US-8759818-B2	Deuterated compounds for electronic applications	E I DU PONT DE NEMOURS AND COMPANY (US)	2014-06-24	—	—	US	disclosed
US-20100152160-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	KHAMRAI UTTAM	2010-06-17	—	—	US	disclosed
US-20100152160-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	KHAMRAI UTTAM	2010-06-17	—	—	US	disclosed
US-20100152160-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	KHAMRAI UTTAM	2010-06-17	—	—	US	disclosed
WO-2010068881-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	FOREST LABORATORIES HOLDINGS LIMITED (BM)	2010-06-17	—	—	WO	disclosed
WO-2010068881-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	FOREST LABORATORIES HOLDINGS LIMITED (BM)	2010-06-17	—	—	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-20100152160-A1	NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS	CCR1, CCR4, CCR5	ALDH1A1 903/4885LMNA 3702/4885SIRT1 1521/4885

“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.