SCHEMBL7114684

SCHEMBL7114684

CC(C)Oc1cccc2c1OC(CO)CC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 4/20 0.37
NFKB2 Q00653 4/20 0.37
RELA Q04206 4/20 0.37
HTR1A P08908 4/20 0.37
HTR1D P28221 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
UCHL1 P09936 1/20 0.32
PRMT5 O14744 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
SCHEMBL7114678 1.00 KDM4E (0.38) KDM4EALDH1A1HPGDNFKB1NFKB2
SCHEMBL6626738 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDHTR1AHTR1D
SCHEMBL7114723 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDHTR1AHTR1D
SCHEMBL7313874 0.81 NFKB1 (0.46) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7115392 0.80 CA2 (0.44) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7115396 0.80 CA2 (0.44) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7116097 0.78 NFKB1 (0.57) NFKB1NFKB2RELA
SCHEMBL7116091 0.78 NFKB1 (0.57) NFKB1NFKB2RELA
SCHEMBL7857416 0.77 ALDH1A1 (0.35) KDM4EALDH1A1HPGDNFKB1NFKB2
SCHEMBL7110632 0.75 CHRM3 (0.40) ALDH1A1HTR1AHTR1D

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
EP-1353670-A2 USE OF CHROMANES Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed
US-20020177616-A1 Use of chromans BAYER AKTIENGESELLSCHAFT (DE) 2002-11-28 US disclosed
WO-2002055078-A2 USE OF CHROMANES FOR TREATING PARKINSON'S DISEASE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-18 WO disclosed
CN-1061043-C Benzo-iso-thiazolyl substituted amino methyl-benzodipyran BAYER AG (DE) 2001-01-24 CN disclosed
EP-0749970-B1 Benzisothiazolyl-substituted aminomethylchroman derivatives BAYER AG (DE) 2001-01-17 EP disclosed
US-5942529-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-24 US disclosed
CN-1143079-A Benzoisothiazolyl-substituted aminomethyl chromans BAYER AG (DE) 1997-02-19 CN disclosed
EP-0749970-A1 Benzisothiazolyl-substituted aminomethylchroman derivatives BAYER AG (DE) 1996-12-27 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-20020177616-A1 Use of chromans SNCA, PARK7, COMT KDM4E 3553/4885ALDH1A1 631/4885HPGD 812/4885

“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.