SCHEMBL4184535

SCHEMBL4184535

COc1ccc(O[C@@H]2O[C@H](COC(=O)CCC(C)=O)[C@@H](OC(=O)CCl)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 1/20 0.43
CA1 P00915 1/20 0.43
P4HB P07237 1/20 0.42
PDIA4 P13667 1/20 0.42
PDIA3 P30101 1/20 0.42

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
SCHEMBL4189072 0.86 CYP3A4 (0.49) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL7945964 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL22073058 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL30618501 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL18022553 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL4182296 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL16689628 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL22710592 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL31103681 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL7744452 0.83 CYP3A4 (0.65) CYP3A4MAPTALDH1A1CYP2D6CYP2C19

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-20090215710-A1 CARBOHYDRATE BASED TOLL-LIKE RECEPTOR (TLR) ANTAGONISTS RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-08-27 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-20090215710-A1 CARBOHYDRATE BASED TOLL-LIKE RECEPTOR (TLR) ANTAGONISTS TLR4, TLR1, TLR2 CYP3A4 1915/4885MAPT 2172/4885ALDH1A1 4161/4885

“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.