SCHEMBL3069329

SCHEMBL3069329

COc1ccc(CO)c2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.42
KMT2A Q03164 1/20 0.40
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
SLC5A2 P31639 1/20 0.34
MCL1 Q07820 1/20 0.33
ALOX15 P16050 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL2429750 0.78 FFAR4 (0.34) FFAR4KMT2A
SCHEMBL3451196 0.78 KDM4E (0.42) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL8377079 0.78 MAPT (0.42) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL12765037 0.78 ALDH1A1 (0.45) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL5723234 0.77 PDE4B (0.37) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL5722864 0.75 FFAR4 (0.35) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL5722956 0.75 FFAR4 (0.39) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL7360394 0.75 FFAR4 (0.46) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL5722811 0.75 KDM4E (0.54) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL7360407 0.75 FFAR4 (0.46) FFAR4KMT2APDE4DPDE4APDE4B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
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 (3 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 2653/4885KMT2A 4289/4885PDE4D 4870/4885
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 FFAR4 1137/4885KMT2A 1764/4885PDE4D 2691/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 FFAR4 1151/4885KMT2A 1801/4885PDE4D 2769/4885

“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.