SCHEMBL7115396

SCHEMBL7115396

CC(C)Oc1cccc2c1OC(COS(C)(=O)=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
HTR1D P28221 2/20 0.34
HTR1A P08908 1/20 0.34
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL7115392 1.00 CA2 (0.44) CA2HTR1DHTR1ANFKB1NFKB2
SCHEMBL7114684 0.80 KDM4E (0.38) HTR1DHTR1ANFKB1NFKB2RELA
SCHEMBL7114678 0.80 KDM4E (0.38) HTR1DHTR1ANFKB1NFKB2RELA
SCHEMBL4823723 0.75 CA2 (0.75) CA2HTR1DHTR1A
SCHEMBL6346222 0.75 CA2 (0.75) CA2HTR1DHTR1A
SCHEMBL6629103 0.74 CA2 (0.44) CA2HTR1DHTR1AHTR6
SCHEMBL4622281 0.74 CA2 (0.44) CA2HTR1DHTR1AHTR6
SCHEMBL7313874 0.73 NFKB1 (0.46) HTR1DHTR1ANFKB1NFKB2RELA
SCHEMBL7116097 0.73 NFKB1 (0.57) NFKB1NFKB2RELADRD2DRD3
SCHEMBL7116091 0.73 NFKB1 (0.57) NFKB1NFKB2RELADRD2DRD3

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 6 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
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
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 CA2 197/4885HTR1D 10/4885HTR1A 9/4885

“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.