SCHEMBL5722797

SCHEMBL5722797

COc1ccc(C=O)c2cc(-c3ccccc3)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 4/20 0.52
HPGD P15428 4/20 0.52
CYP2C19 P33261 3/20 0.52
MAPT P10636 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 4/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ACHE P22303 1/20 0.44
PLK1 P53350 1/20 0.44
BACE1 P56817 1/20 0.44
TP53 P04637 2/20 0.44
AR P10275 1/20 0.44
ERN1 O75460 1/20 0.43

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
SCHEMBL5723170 0.86 CYP1A2 (0.55) ALDH1A1CYP3A4HPGDCYP2C19MAPT
SCHEMBL5660061 0.84 ACHE (0.54) ALDH1A1CYP3A4HPGDCYP2C19MAPT
SCHEMBL14461844 0.83 CSNK2A2 (0.43) ALDH1A1CYP3A4HPGDMAPTCYP1A1
SCHEMBL5722969 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDMAPTCYP1A1
SCHEMBL5722959 0.81 CYP1A1 (0.57) ALDH1A1CYP3A4HPGDMAPTCYP1A1
SCHEMBL5722994 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDMAPTCYP1A1
SCHEMBL5723270 0.79 MAPT (0.60) ALDH1A1CYP3A4HPGDCYP2C19MAPT
SCHEMBL5723273 0.79 MAPT (0.60) ALDH1A1CYP3A4HPGDCYP2C19MAPT
SCHEMBL5722780 0.78 GPR55 (0.43) ALDH1A1HPGDMAPTKDM4ETP53
Hydrochloric Acid SCHEMBL5723047 0.78 MAPT (0.58) ALDH1A1CYP3A4HPGDCYP2C19MAPT

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 323/4885CYP3A4 189/4885HPGD 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.