SCHEMBL4609150

SCHEMBL4609150

C/C=C(\CC(O)(C(=O)OCC)C(F)(F)F)c1cccc(F)c1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
CTSS P25774 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL1262032 1.00 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1262030 1.00 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL4584481 1.00 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1261382 0.91 ALDH1A1 (0.47) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1261381 0.91 ALDH1A1 (0.47) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1262054 0.87 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1261618 0.87 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1261619 0.87 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1262053 0.87 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA
SCHEMBL1261132 0.87 ALDH1A1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GAA

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
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
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 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
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 WO 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 ALDH1A1 177/4885POLB 2911/4885NPSR1 1814/4885

“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.