SCHEMBL5723010

SCHEMBL5723010

COc1ccc(C(=O)O)c2c1OCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
CDC25B P30305 1/20 0.40
MAPK1 P28482 2/20 0.39
KCNA3 P22001 1/20 0.38
XDH P47989 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MYC P01106 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
TPMT P51580 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
SCHEMBL20558555 0.91 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL5723027 0.86 KDM4E (0.55) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL4475519 0.82 KDM4E (0.76) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL134045 0.81 XDH (0.44) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL6837800 0.79 KDM4E (0.67) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL857118 0.79 KDM4E (0.67) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL20127247 0.79 MAOA (0.41) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL19121665 0.78 KDM4E (0.52) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL5723158 0.77 PDE4D (0.49) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL14419887 0.77 KDM4E (0.51) ALDH1A1KDM4ELMNAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ALDH1A1 323/4885KDM4E 3975/4885LMNA 1848/4885

“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.