SCHEMBL3757291

SCHEMBL3757291

C/C=C(/C[C@@](O)(C(=O)O)C(F)(F)F)c1ccc(F)c(F)c1OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
TET2 Q6N021 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEP1B Q16820 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
TUBB1 Q9H4B7 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL3757297 1.00 ALDH1A1 (0.34) ALDH1A1GAATET2SMN1; SMN2MEP1B
SCHEMBL3757293 1.00 ALDH1A1 (0.34) ALDH1A1GAATET2SMN1; SMN2MEP1B
SCHEMBL3751613 0.89 ALDH1A1 (0.34) ALDH1A1GAATET2SMN1; SMN2GLA
SCHEMBL3751610 0.89 ALDH1A1 (0.34) ALDH1A1GAATET2SMN1; SMN2GLA
SCHEMBL3751612 0.89 ALDH1A1 (0.34) ALDH1A1GAATET2SMN1; SMN2GLA
SCHEMBL3749863 0.88 GAA (0.35) ALDH1A1GAATET2SMN1; SMN2GLA
SCHEMBL3749861 0.88 GAA (0.35) ALDH1A1GAATET2SMN1; SMN2GLA
SCHEMBL3749866 0.88 GAA (0.35) ALDH1A1GAATET2SMN1; SMN2GLA
SCHEMBL3756023 0.87 ALDH1A1 (0.33) ALDH1A1GAATET2SMN1; SMN2GLA
SCHEMBL3756020 0.87 ALDH1A1 (0.33) ALDH1A1GAATET2SMN1; SMN2GLA

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
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS BERGER MARKUS 2010-11-25 US 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 (2 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-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents TNF, IL1B, DHPS ALDH1A1 306/4885GAA 3762/4885TET2 1594/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS ALDH1A1 309/4885GAA 3740/4885TET2 1452/4885

“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.