SCHEMBL3820249

SCHEMBL3820249

COc1cc(-c2cc(=O)c3c(OC)cccc3o2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
KDM4E B2RXH2 5/20 0.74
TP53 P04637 3/20 0.74
CYP3A4 P08684 3/20 0.74
MAPT P10636 3/20 0.74
AR P10275 2/20 0.74
HSD17B10 Q99714 2/20 0.74
HPGD P15428 2/20 0.74
ABCB1 P08183 4/20 0.72
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ABCG2 Q9UNQ0 3/20 0.61

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
SCHEMBL3825395 0.88 ALOX5 (0.67) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL2481955 0.86 AR (0.75) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL30848745 0.86 AR (0.75) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL1629391 0.85 ALDH1A1 (1.00) ALDH1A1KDM4ETP53CYP3A4MAPT
Water SCHEMBL11651735 0.85 ABCB1 (0.56) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL9140038 0.84 AR (0.82) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL1765114 0.84 ABCB1 (1.00) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL9137273 0.83 AR (0.80) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL29465904 0.83 ABCB1 (1.00) ALDH1A1KDM4ETP53CYP3A4MAPT
SCHEMBL7603117 0.83 AR (1.00) ALDH1A1KDM4ETP53CYP3A4MAPT

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
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 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-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 ALDH1A1 315/4885KDM4E 1445/4885TP53 4683/4885

“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.