SCHEMBL6837878

SCHEMBL6837878

COc1ccc(C(O)(Cc2ccncc2)c2ccccc2)c2c1OC1(CCCC1)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.34
PDE4A P27815 8/20 0.34
PDE4D Q08499 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NR3C2 P08235 1/20 0.32
NR3C1 P04150 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL5722721 0.80 FFAR4 (0.36) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5723658 0.76 CYP1A2 (0.34) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5723014 0.73 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL5722831 0.72 PDE4D (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL5723117 0.72 PDE4A (0.36) SMN1; SMN2CYP19A1PDE4APDE4DPDE4B
SCHEMBL5722859 0.71 PDE4A (0.45) HIF1AHTTSMN1; SMN2CYP19A1PDE4A
Hydrochloric Acid SCHEMBL5723041 0.71 PDE4A (0.35) SMN1; SMN2CYP19A1PDE4APDE4DPDE4B
Hydrochloric Acid SCHEMBL5723084 0.70 PDE4A (0.44) HIF1AHTTSMN1; SMN2CYP19A1PDE4A
SCHEMBL5722889 0.69 PDE4A (0.40) CYP2C19CYP19A1PDE4APDE4DPDE4B
SCHEMBL5722872 0.68 CYP19A1 (0.46) CYP3A4CYP2C9CYP2C19SMN1; SMN2CYP19A1

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 4 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
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 KCNA5 3353/4885CYP1A2 103/4885CYP3A4 189/4885

“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.