SCHEMBL5723094

SCHEMBL5723094

COc1ccc(C=O)c2c1OC1(CCCC1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.42
HPGD P15428 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
TLR2 O60603 1/20 0.35
ERN1 O75460 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6607683 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EL3MBTL1CASP1
SCHEMBL5723233 0.75 PDE4A (0.43) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL5722874 0.75 PDE4D (0.48) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL6837835 0.75 SIRT1 (0.41) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL5722764 0.75 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL5723323 0.74 PDE4D (0.47) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL5723239 0.74 PDE4B (0.38) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL5723244 0.74 PDE4B (0.38) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL5722749 0.74 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL5723204 0.73 ALDH1A1 (0.35) ALDH1A1HPGDNPSR1KDM4EL3MBTL1

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 323/4885HPGD 713/4885NPSR1 2089/4885

“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.