SCHEMBL127916

CCC(CSCC1O[C@@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCOCCOCC(=O)O[C@@H](C(=O)O[C@H]7C[C@@]8(O)[C@@H](OC(=O)c9ccccc9)C9[C@](C)(C(=O)[C@H](O)C(=C7C)C8(C)C)[C@@H](O)C[C@H]7OC[C@@]97OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)O[C@H](O[C@@H]7C(CO)O[C@@H](O[C@H]8CC(O)[C@H](OC8CO)O[C@H]1[C@H](O)C2O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCOCCOCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@@]31OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	NPC1	O15118	7/20	0.54

▸	TUBB4A	P04350	4/20	0.54

▸	TUBB	P07437	4/20	0.54

▸	TUBA3C	P0DPH7	4/20	0.54

▸	TUBA1B	P68363	4/20	0.54

▸	TUBA4A	P68366	4/20	0.54

▸	TUBB4B	P68371	4/20	0.54

▸	TUBB3	Q13509	4/20	0.54

▸	TUBB2A	Q13885	4/20	0.54

▸	TUBB8	Q3ZCM7	4/20	0.54

▸	TUBA3E	Q6PEY2	4/20	0.54

▸	TUBA1A	Q71U36	4/20	0.54

▸	TUBA1C	Q9BQE3	4/20	0.54

▸	TUBB6	Q9BUF5	4/20	0.54

▸	TUBB2B	Q9BVA1	4/20	0.54

▸	TUBB1	Q9H4B7	4/20	0.54

▸	NOD2	Q9HC29	3/20	0.54

▸	ABCB11	O95342	2/20	0.54

▸	MEN1	O00255	2/20	0.54

▸	KMT2A	Q03164	2/20	0.54

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
SCHEMBL11990677	0.98	NPC1 (0.56)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL127661	0.97	NPC1 (0.53)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11990665	0.95	NPC1 (0.58)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11990674	0.95	NPC1 (0.56)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12087862	0.93	NPC1 (0.59)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12258377	0.92	NPC1 (0.58)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12258392	0.90	NPC1 (0.45)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12087813	0.90	NPC1 (0.55)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11990661	0.88	NPC1 (0.53)	NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL125615	0.88	NPC1 (0.53)	NPC1TUBB4ATUBBTUBA3CTUBA1B

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-20120058971-A1	CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY	CERULEAN PHARMA INC. (US)	2012-03-08	—	—	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-20120058971-A1	CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY	SDCBP, DDOST, DSC1	NPC1 372/4885TUBB4A 102/4885TUBB 40/4885

“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.