SCHEMBL4182296

SCHEMBL4182296

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

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
TP53 P04637 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
CA2 P00918 1/20 0.57
CA1 P00915 1/20 0.57
CYP2D6 P10635 2/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 1/20 0.55
MAPT P10636 2/20 0.54
CYP2C19 P33261 1/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4182294 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL7744452 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL30618501 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL16689628 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL7945964 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL18022553 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL31103681 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL22710592 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL22073058 1.00 CYP3A4 (0.65) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL12870233 0.99 CYP3A4 (0.63) CYP3A4MEN1KMT2ATP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022241417-A1 METHODS AND COMPOSITIONS FOR EXTENDING ORGAN AND TISSUE PRESERVATION THE GENERAL HOSPITAL CORPORATION (US) 2022-11-17 WO disclosed
US-20090215710-A1 CARBOHYDRATE BASED TOLL-LIKE RECEPTOR (TLR) ANTAGONISTS RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-08-27 US disclosed
US-6339162-B1 SOLVOLYSIS OF 4-ACETYLOXYPHENYL-ACETYL-.BETA.-D-GLUCOPYRANOSIDE DERIVATIVE, NEUTRALIZATION WITH ACID, CRYSTALLIZATION OF ARBUTIN OR ITS DERIVATIVE NISSHIN PHARMA INC. (JP) 2002-01-15 US disclosed
EP-1043321-A1 Process for the preparation of tetrahydropyran derivatives Nisshin Flour Milling Co., Ltd. (JP) 2000-10-11 EP 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 1915/4885MEN1 4480/4885KMT2A 1661/4885

“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.