SCHEMBL6699503

SCHEMBL6699503

CCOc1cc(O)c(C=O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TOP2A P11388 1/20 0.43
ERN1 O75460 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3578196 0.91 LMNA (0.62) ALDH1A1LMNAMEN1KMT2ATOP2A
SCHEMBL3913432 0.89 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2ATOP2A
SCHEMBL19025114 0.86 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATOP2A
SCHEMBL6703927 0.86 ERN1 (0.45) ALDH1A1LMNAERN1TRIM24TYR
SCHEMBL5882543 0.86 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATOP2A
SCHEMBL4971064 0.86 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATOP2A
SCHEMBL17010229 0.84 ERN1 (0.51) ALDH1A1LMNAMEN1KMT2AERN1
SCHEMBL6702405 0.84 ALDH1A1 (0.41) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL9714219 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATOP2AKDM4E
SCHEMBL23094682 0.81 LMNA (0.75) ALDH1A1LMNAMEN1KMT2ATOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040049056-A1 Process for preparation of esculetin compounds, esculetin compounds and intermediates thereof, and use of both KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-11 US disclosed
EP-1357118-A1 PROCESS FOR PREPARATION OF ESCULETIN COMPOUNDS, ESCULETIN COMPOUNDS AND INTERMEDIATES THEREOF, AND USE OF BOTH Kureha Chemical Industry Co., Ltd. (JP) 2003-10-29 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-20040049056-A1 Process for preparation of esculetin compounds, esculetin compounds and intermediates thereof, and use of both SUCLG1, SALL4, HSD17B14 ALDH1A1 71/4885LMNA 2746/4885MEN1 1200/4885

“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.