SCHEMBL5722906

SCHEMBL5722906

COc1ccc(C=O)c2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.42
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35
TLR2 O60603 1/20 0.35
ERN1 O75460 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3598687 0.88 FFAR4 (0.40) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL17535618 0.81 EZH2 (0.32) ALDH1A1
SCHEMBL5722874 0.81 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5722696 0.81 ALDH1A1 (0.38) FFAR4ALDH1A1HPGDLMNATSHR
SCHEMBL5723323 0.80 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5723076 0.78 KMT2A (0.44) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL12765037 0.78 ALDH1A1 (0.45) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3451196 0.78 KDM4E (0.42) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL8377079 0.78 MAPT (0.42) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL5722875 0.77 MAPT (0.50) FFAR4PDE4DPDE4APDE4BPDE4C

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 FFAR4 2653/4885PDE4D 4870/4885PDE4A 4879/4885

“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.