SCHEMBL4189072

SCHEMBL4189072

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 3/20 0.49
MAPT P10636 2/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 2/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
LGALS8 O00214 1/20 0.41

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
SCHEMBL4184535 0.86 CYP3A4 (0.52) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6
SCHEMBL13755879 0.86 CYP3A4 (0.54) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6
SCHEMBL4186930 0.82 LGALS8 (0.56) CYP3A4MEN1KMT2ACYP2C9TP53
SCHEMBL4186934 0.82 LGALS8 (0.56) CYP3A4MEN1KMT2ACYP2C9TP53
SCHEMBL13755884 0.81 CYP3A4 (0.63) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6
SCHEMBL12870233 0.81 CYP3A4 (0.63) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6
SCHEMBL16689628 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6
SCHEMBL22073058 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6
SCHEMBL22710592 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6
SCHEMBL4182296 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1CYP2C19MAPTCYP2D6

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 1915/4885ALDH1A1 4161/4885CYP2C19 2591/4885

“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.