SCHEMBL3755089

SCHEMBL3755089

C/C=C(/C[C@@](O)(C(=O)O)C(F)(F)F)c1cccc(F)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KRAS P01116 2/20 0.33
TET2 Q6N021 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
HCRTR1 O43613 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
SCHEMBL3755093 1.00 CTSS (0.36) CTSSKMT2AALDH1A1GAAPOLB
SCHEMBL3755099 1.00 CTSS (0.36) CTSSKMT2AALDH1A1GAAPOLB
SCHEMBL4609150 0.86 ALDH1A1 (0.49) CTSSALDH1A1GAAPOLBNPSR1
SCHEMBL4584481 0.86 ALDH1A1 (0.49) CTSSALDH1A1GAAPOLBNPSR1
SCHEMBL1262030 0.86 ALDH1A1 (0.49) CTSSALDH1A1GAAPOLBNPSR1
SCHEMBL1262032 0.86 ALDH1A1 (0.49) CTSSALDH1A1GAAPOLBNPSR1
SCHEMBL3757293 0.85 ALDH1A1 (0.34) ALDH1A1GAAPOLBNPSR1GLA
SCHEMBL3757297 0.85 ALDH1A1 (0.34) ALDH1A1GAAPOLBNPSR1GLA
SCHEMBL3757291 0.85 ALDH1A1 (0.34) ALDH1A1GAAPOLBNPSR1GLA
SCHEMBL3751610 0.84 ALDH1A1 (0.34) ALDH1A1GAAPOLBNPSR1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS BERGER MARKUS 2010-11-25 US disclosed
US-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-09-18 US disclosed
EP-1917963-A1 Cyclic phenyl-substituted indazols, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-07 EP disclosed
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents BAYER SCHERING PHARMA AG (DE) 2007-09-27 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 (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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGIS, PTGS1, PTGES CTSS 1853/4885KMT2A 4759/4885ALDH1A1 238/4885
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents TNF, IL1B, DHPS CTSS 1392/4885KMT2A 4701/4885ALDH1A1 306/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS CTSS 1441/4885KMT2A 4694/4885ALDH1A1 309/4885

“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.