SCHEMBL4597691

SCHEMBL4597691

C=C(CC(O)(C=O)C(F)(F)F)c1cccc(F)c1OC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.32
KRAS P01116 2/20 0.32
KMT2A Q03164 1/20 0.30
SCN8A Q9UQD0 2/20 0.30
SCN10A Q9Y5Y9 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL5187175 0.86 CTSS (0.35) CTSSHCRTR1HCRTR2KRASKMT2A
SCHEMBL4597490 0.85 CTSS (0.34) CTSSHCRTR1HCRTR2KRASKMT2A
SCHEMBL4597487 0.85 CTSS (0.34) CTSSHCRTR1HCRTR2KRASKMT2A
SCHEMBL5920505 0.85 CTSS (0.34) CTSSHCRTR1HCRTR2KRASKMT2A
SCHEMBL1261314 0.81 MEP1B (0.35) ALDH1A1
SCHEMBL1261282 0.76 ALDH1A1 (0.50) ALDH1A1
SCHEMBL3532999 0.73 NR3C1 (0.39) CTSS
SCHEMBL1261656 0.73 KMT2A (0.35) CTSSHCRTR2KRASKMT2AALDH1A1
SCHEMBL3745087 0.72 CTSS (0.32) CTSSKRASKMT2ACA1CA2
SCHEMBL1261086 0.72 CTSS (0.32) CTSSKRASKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US 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-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 CTSS 2245/4885HCRTR1 3661/4885HCRTR2 3257/4885

“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.