SCHEMBL6836798

SCHEMBL6836798

COc1cccc2c1OC1(CCCCCC1)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
FFAR4 Q5NUL3 2/20 0.38
ADRA1D P25100 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5723163 0.98 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1KDM4ECASP1
SCHEMBL31217602 0.80 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1KDM4ECASP1
SCHEMBL31217599 0.80 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1KDM4ECASP1
SCHEMBL23284320 0.78 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL7321049 0.78 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL13805568 0.78 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL13805571 0.78 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL6836903 0.78 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL11107148 0.77 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1KDM4ECASP1
SCHEMBL10919624 0.76 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.