SCHEMBL6707110

SCHEMBL6707110

C=CCOc1cc(O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
AR P10275 1/20 0.43
PTGS1 P23219 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GAA P10253 6/20 0.42
TSHR P16473 2/20 0.42
MGAM O43451 4/20 0.42
SI P14410 4/20 0.42
MGAM2 Q2M2H8 4/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
LIG1 P18858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 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
SCHEMBL3972054 0.83 GAA (0.43) MAOBALDH1A1GAATSHRMGAM
SCHEMBL7258755 0.83 GAA (0.40) MAOBALDH1A1CYP3A4GAATSHR
SCHEMBL2518848 0.83 GAA (0.46) ALDH1A1GAATSHRMGAMSI
SCHEMBL21323031 0.83 GAA (0.43) MAOBALDH1A1PTGS1GAATSHR
SCHEMBL3965908 0.83 HPGD (0.45) MAOBALDH1A1GAATSHRMGAM
SCHEMBL7258665 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL31536977 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL17861605 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL5210543 0.81 HPGD (0.58) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL17848515 0.81 MAPT (0.48) MAOBALDH1A1CYP3A4ALOX5AR

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 MAOB 725/4885ALDH1A1 71/4885CYP3A4 89/4885

“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.