SCHEMBL3858464

SCHEMBL3858464

C#CC(=O)Oc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ELANE P08246 1/20 0.40
LIPE Q05469 2/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HPGD P15428 1/20 0.38
LTA4H P09960 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL3864698 0.94 THRA (0.50) THRBTHRAMEN1KMT2AELANE
SCHEMBL3291890 0.83 THRB (0.47) THRBTHRAMEN1KMT2AELANE
SCHEMBL162350 0.83 KMT2A (0.49) THRBTHRAMEN1KMT2APPARA
Hydrochloric Acid SCHEMBL3857751 0.81 KMT2A (0.47) THRBTHRAMEN1KMT2APPARA
SCHEMBL1639316 0.78 KMT2A (0.46) MEN1KMT2AELANELIPEPPARA
SCHEMBL3859187 0.77 LTA4H (0.42) MEN1KMT2ALTA4HSMN1; SMN2MAPT
SCHEMBL6224552 0.76 HSD17B10 (0.50) MEN1KMT2AELANELIPEPPARA
SCHEMBL5665614 0.76 ELANE (0.44) THRBMEN1KMT2AELANELIPE
SCHEMBL6653843 0.76 THRB (0.51) THRBTHRAMEN1KMT2AELANE
SCHEMBL6071880 0.75 LMNA (0.57) THRBTHRAKMT2AMAPTCYP1A2

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-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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 (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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 THRB 141/4885THRA 170/4885MEN1 807/4885

“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.