SCHEMBL5723337

SCHEMBL5723337

COc1ccc(C(O)c2ccccc2)c2c1OCC2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 2/20 0.34
PTPN1 P18031 2/20 0.33
PPARD Q03181 2/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
DRD2 P14416 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
SCHEMBL5723129 0.77 PDE4A (0.48)
SCHEMBL5723161 0.76 TDP1 (0.41) MAPTALDH1A1LMNA
SCHEMBL5722873 0.72 PDE4A (0.31) KMT2A
SCHEMBL5722790 0.72 MAPT (0.51) MAPTKMT2APTGS1MAPK1KDM4E
SCHEMBL5723212 0.71 KDM4E (0.47) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL5722901 0.70 PDE4B (0.41)
SCHEMBL5722982 0.70 PDE4A (0.35) PTGS1MAPK1KDM4EALDH1A1LMNA
SCHEMBL5723227 0.69 FFAR4 (0.38) CNR2MAPTMEN1CYP2C9KMT2A
SCHEMBL477540 0.69 IDO1 (0.55) CNR2MAPTCHRM2CHRM4CHRM5
SCHEMBL3862578 0.69 IDO1 (0.55) CNR2MAPTCHRM2CHRM4CHRM5

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 HIF1A 1396/4885EPAS1 3729/4885CNR2 739/4885

“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.