SCHEMBL13130783

SCHEMBL13130783

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)COC(=O)CCNC(=O)OCc4ccccc4)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)[C@H]21)C3(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.73
TUBB P07437 6/20 0.73
TUBA3C P0DPH7 6/20 0.73
TUBA1B P68363 6/20 0.73
TUBA4A P68366 6/20 0.73
TUBB4B P68371 6/20 0.73
TUBB3 Q13509 6/20 0.73
TUBB2A Q13885 6/20 0.73
TUBB8 Q3ZCM7 6/20 0.73
TUBA3E Q6PEY2 6/20 0.73
TUBA1A Q71U36 6/20 0.73
TUBA1C Q9BQE3 6/20 0.73
TUBB6 Q9BUF5 6/20 0.73
TUBB2B Q9BVA1 6/20 0.73
TUBB1 Q9H4B7 6/20 0.73
NPC1 O15118 6/20 0.73
ABCB11 O95342 2/20 0.73
NOD2 Q9HC29 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL13134097 1.00 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL125576 0.94 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17620459 0.94 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15147365 0.94 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16216860 0.93 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13134096 0.93 NPC1 (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13130784 0.93 NPC1 (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL126981 0.93 NPC1 (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12107358 0.92 NPC1 (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8546175 0.92 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 TUBB4A 194/4885TUBB 206/4885TUBA3C 161/4885

“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.