SCHEMBL4609764

SCHEMBL4609764

CCC(CC)(c1cc(OC)c(OC)c(OC)c1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ACHE P22303 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL919301 0.83 HMGCR (0.36) L3MBTL1
SCHEMBL4869912 0.83 L3MBTL1 (0.34) L3MBTL1MAPTMAPK1CYP2C9CYP2C19
SCHEMBL23908217 0.80 PGK1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL4609991 0.79 KDM4E (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2032432 0.79 PTPN5 (0.33) CYP3A4
SCHEMBL2029811 0.78 ALDH1A1 (0.42) L3MBTL1HTTCYP3A4ALDH1A1ADRA2B
SCHEMBL2032329 0.76 P2RX3 (0.34) ALDH1A1KDM4E
SCHEMBL4099559 0.76 MAPT (0.44) L3MBTL1PTGS2HTTMAPTCYP3A4
SCHEMBL2034116 0.75 PKM (0.34) L3MBTL1HTTMAPTCYP3A4CYP2C19
SCHEMBL2032819 0.74 ALDH1A1 (0.42) L3MBTL1HTTCYP3A4CYP2C19MEN1

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-1654210-B1 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS SZEKERES THOMAS (AT) 2008-07-30 EP disclosed
US-20070191627-A1 Stilbene derivatives and their use in medicaments SZEKERES THOMAS 2007-08-16 US disclosed
EP-1654210-A2 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS Szekeres, Thomas (AT) 2006-05-10 EP disclosed
WO-2005016860-A2 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS SZEKERES THOMAS (AT) 2005-02-24 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-20070191627-A1 Stilbene derivatives and their use in medicaments PTGS2, PTGS1, PTGER2 L3MBTL1 4403/4885PTGS2 1/4885HTT 2130/4885

“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.