SCHEMBL5723068

SCHEMBL5723068

COc1ccc(C=O)c2c1OC1(C=C2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
PDE4D Q08499 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
PTPN1 P18031 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE7A Q13946 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL5723204 0.99 ALDH1A1 (0.35) ALDH1A1PDE4DHPGDKDM4ENPSR1
SCHEMBL7299406 0.80 PDE4D (0.49) ALDH1A1PDE4DHPGDKDM4ECASP1
SCHEMBL7300353 0.79 MAPT (0.45) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL8326536 0.79 MAPT (0.45) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL5723005 0.78 KDM4E (0.42) ALDH1A1PDE4DHPGDKDM4ENPSR1
SCHEMBL5722826 0.77 KDM4E (0.44) ALDH1A1PDE4DKDM4ECASP1CASP7
SCHEMBL5723023 0.76 KDM4E (0.43) ALDH1A1PDE4DHPGDKDM4ECASP1
SCHEMBL7303723 0.73 SMN1; SMN2 (0.35) ALDH1A1HPGDKDM4ENPSR1L3MBTL1
SCHEMBL7303717 0.73 SMN1; SMN2 (0.35) ALDH1A1HPGDKDM4ENPSR1L3MBTL1
SCHEMBL5723094 0.72 ALDH1A1 (0.42) ALDH1A1PDE4DHPGDKDM4ENPSR1

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 323/4885PDE4D 4870/4885HPGD 713/4885

“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.