SCHEMBL6542085

SCHEMBL6542085

COc1ccc(C=O)cc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
AOX1 Q06278 1/20 0.53
TRIM24 O15164 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
TSHR P16473 1/20 0.49
ERN1 O75460 5/20 0.47
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
FDPS P14324 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
TTR P02766 1/20 0.40
PTGS1 P23219 2/20 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
SCHEMBL6541653 0.84 HTT (0.55) ALDH1A1ERN1CA1CA2POLB
SCHEMBL6541650 0.84 HTT (0.55) ALDH1A1ERN1CA1CA2POLB
SCHEMBL5734850 0.78 ALDH1A1 (0.53) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL5828169 0.78 PTGS2 (0.65) HPGDPTGS1PTGS2
SCHEMBL14492596 0.78 PTGS2 (0.65) HPGDPTGS1PTGS2
SCHEMBL1547486 0.77 ALDH1A1 (0.63) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL9204058 0.76 ERN1 (0.54) ALDH1A1HPGDTSHRERN1CA1
SCHEMBL16711689 0.76 ALDH1A1 (0.58) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL9200479 0.76 GABRA1 (0.48) ALDH1A1HPGDTSHRCA1CA2
SCHEMBL16711690 0.74 ALDH1A1 (0.51) ALDH1A1AOX1TRIM24HPGDALDH5A1

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-1421061-A4 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INC (US) 2004-12-22 EP disclosed
EP-1421061-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA Incyte San Diego Incorporated (US) 2004-05-26 EP disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 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-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 ALDH1A1 643/4885AOX1 220/4885TRIM24 4251/4885

“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.