SCHEMBL389405

SCHEMBL389405

COc1cc(OC)cc(C(=O)Cc2ccc3c(c2)OCO3)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 3/20 0.57
CTNNB1 P35222 1/20 0.56
WNT3A P56704 1/20 0.56
CALM1 P0DP23 1/20 0.55
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MCHR1 Q99705 3/20 0.53
HIF1A Q16665 1/20 0.51

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
SCHEMBL25203201 0.89 RAB9A (0.70) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL25231300 0.88 CTNNB1 (0.73) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL7812122 0.82 KMT2A (0.60) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL109197 0.81 ALDH1A1 (0.64) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL14518414 0.81 ALDH1A1 (0.70) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL11694008 0.79 TDP1 (0.65) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL11696819 0.79 KMT2A (0.59) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL1554690 0.79 CTNNB1 (0.66) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL392612 0.78 NPC1 (0.62) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL4821161 0.77 CTNNB1 (0.61) SMN1; SMN2RAB9ANPC1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202215-B1 Novel process for the synthesis of (E)-Stilbene derivatives which makes it possible to obtain resveratrol and piceatannol CLARIANT SPECIALTY FINE CHEM F (FR) 2013-10-02 EP disclosed
EP-2049459-B1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL CLARIANT SPECIALTY FINE CHEM F (FR) 2013-10-02 EP disclosed
US-8101804-B2 Process for the synthesis of (E)-stilbene derivatives which makes it possible to obtain resveratrol and piceatannol CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2012-01-24 US disclosed
EP-2202215-A2 Novel process for the synthesis of (E)-Stilbene derivatives which makes it possible to obtain resveratrol and piceatannol Clariant Specialty Fine Chemicals (France) (FR) 2010-06-30 EP disclosed
US-20100004483-A1 Novel Process For The Synthesis Of (E)-Stilbene Derivatives Which Makes It Possible To Obtain Resveratrol And Piceatannol CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-01-07 US disclosed
EP-2049459-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL Clariant Specialty Fine Chemicals (France) (FR) 2009-04-22 EP disclosed
WO-2008012321-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-01-31 WO 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-20100004483-A1 Novel Process For The Synthesis Of (E)-Stilbene Derivatives Which Makes It Possible To Obtain Resveratrol And Piceatannol SQLE, SUCLA2, SORD SMN1; SMN2 4268/4885RAB9A 3458/4885NPC1 2050/4885

“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.