SCHEMBL5041582

SCHEMBL5041582

COC(C(=O)O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 3/20 0.44
PDE2A O00408 1/20 0.43
PPARG P37231 5/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.41
EPHX1 P07099 2/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
ACACB O00763 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL14762693 0.83 PPARG (0.47) EPHX2ALDH1A1PDE2APPARGPPARA
SCHEMBL18069753 0.82 F9 (0.48) AKR1C2AKR1C1AURKATPX2KIF11
SCHEMBL29017154 0.81 GPR139 (0.46) PPARG
SCHEMBL17295978 0.81 GPR139 (0.46) PPARG
SCHEMBL29392091 0.81 GPR139 (0.46) PPARG
SCHEMBL3829660 0.80 LDHA (0.52) ALDH1A1KMT2AAKR1C2AKR1C1
SCHEMBL17295989 0.80 LDHA (0.52) ALDH1A1KMT2AAKR1C2AKR1C1
SCHEMBL17295985 0.80 LDHA (0.52) ALDH1A1KMT2AAKR1C2AKR1C1
SCHEMBL18890123 0.80 GLS (0.40) AKR1C2AKR1C1
SCHEMBL29394497 0.80 GLS (0.40) AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
EP-2578573-A1 FUSED IMIDAZOLE DERIVATIVE TOA Eiyo Ltd. (JP) 2013-04-10 EP disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 US disclosed
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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 (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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A EPHX2 3844/4885ALDH1A1 4252/4885PDE2A 1306/4885
US-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 EPHX2 1557/4885ALDH1A1 519/4885PDE2A 1274/4885

“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.