SCHEMBL16451675

SCHEMBL16451675

Cc1cc(Cc2cc(Cc3cc(Cc4ccc(O)c(C)c4O)c(O)c(C)c3O)c(O)c(C)c2O)c(O)c(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
AMY1A P0DUB6 1/20 0.44
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HIF1A Q16665 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SHBG P04278 2/20 0.34
HSPA5 P11021 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SLC22A1 O15245 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL31244461 0.84 TYR (0.57) TYRAMY1AESR1ESR2HIF1A
SCHEMBL7039051 0.84 SHBG (0.43) AMY1AESR1ESR2HIF1ACYP2C9
SCHEMBL8470006 0.84 TYR (0.57) TYRAMY1AESR1ESR2HIF1A
SCHEMBL26375867 0.84 AMY1A (0.56) TYRAMY1AESR1ESR2HIF1A
SCHEMBL30375444 0.83 TYR (0.42) TYRAMY1AESR1ESR2HIF1A
SCHEMBL3196356 0.83 TYR (0.42) TYRAMY1AESR1ESR2HIF1A
SCHEMBL29636469 0.83 TYR (0.42) TYRAMY1AESR1ESR2HIF1A
SCHEMBL14217893 0.82 TYR (0.35) TYRAMY1AHIF1ACYP2C9CYP2C19
SCHEMBL10446211 0.81 AMY1A (0.52) TYRAMY1AESR1ESR2HIF1A
SCHEMBL8066841 0.81 AMY1A (0.67) TYRAMY1AESR1ESR2HIF1A

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-20150044117-A1 CAVITAND COMPOSITIONS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2015-02-12 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-20150044117-A1 CAVITAND COMPOSITIONS AND METHODS OF USE THEREOF VCL, TMEM109, GYS1 TYR 4559/4885AMY1A 1319/4885ESR1 4553/4885

“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.