SCHEMBL5722940

SCHEMBL5722940

C#CC(C)(C)Oc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
KMT2A Q03164 4/20 0.50
ELANE P08246 1/20 0.49
CYP2C9 P11712 3/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL29013903 0.86 NOTUM (0.50) MAPTKMT2AELANECYP2C9CYP1A2
SCHEMBL21955375 0.85 NOTUM (0.49) MAPTKMT2AELANEMEN1LMNA
SCHEMBL7356252 0.84 MAPT (0.66) MAPTKMT2ACYP2C9TSHRCYP1A2
Veratric Acid Methyl Ester SCHEMBL2050732 0.81 MAPT (0.86) MAPTKMT2ACYP2C9TSHRCYP1A2
Veratric Acid Methyl Ester SCHEMBL29573244 0.81 MAPT (0.86) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL16533376 0.78 MAPT (0.66) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL14139184 0.78 ELANE (0.62) MAPTKMT2AELANETSHRMEN1
SCHEMBL23518945 0.77 NOTUM (0.74) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL2193058 0.77 SMN1; SMN2 (0.48) MAPTKMT2AELANETSHRMEN1
SCHEMBL666907 0.77 CYP2B6 (0.60) MAPTKMT2ACYP2C9TSHRCYP1A2

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 MAPT 3600/4885KMT2A 4289/4885ELANE 3254/4885

“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.