SCHEMBL6712336

SCHEMBL6712336

O=C(O)c1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.61
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
TPMT P51580 1/20 0.54
ALDH1A1 P00352 1/20 0.50
FBP1 P09467 1/20 0.49
SRD5A2 P31213 1/20 0.48
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
TP53 P04637 1/20 0.46
TTR P02766 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL6712340 1.00 AHR (0.61) AHRRXRARXRBTSHRALOX15
SCHEMBL5754075 0.86 TSHR (0.74) AHRTSHRALOX15ALDH1A1FBP1
SCHEMBL5754068 0.86 TSHR (0.74) AHRTSHRALOX15ALDH1A1FBP1
SCHEMBL14328640 0.86 ALDH1A1 (0.60) TSHRALOX15ALDH1A1FBP1SRD5A2
SCHEMBL8437379 0.84 MAOB (0.59) RXRARXRBTSHRALOX15FBP1
SCHEMBL8437373 0.84 MAOB (0.59) RXRARXRBTSHRALOX15FBP1
SCHEMBL69167 0.83 ALDH1A1 (0.68) TSHRALOX15TPMTALDH1A1FBP1
SCHEMBL9681086 0.83 ALDH1A1 (0.68) TSHRALOX15TPMTALDH1A1FBP1
SCHEMBL2615887 0.83 ALDH1A1 (0.68) TSHRALOX15TPMTALDH1A1FBP1
SCHEMBL9681088 0.83 ALDH1A1 (0.68) TSHRALOX15TPMTALDH1A1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 AHR 104/4885RXRA 139/4885RXRB 121/4885

“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.