SCHEMBL3857385

SCHEMBL3857385

C#CC(=O)Oc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 2/20 0.32

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
SCHEMBL317719 0.78 CA1 (0.46) CA1CA2CA9KDM4EALDH1A1
Hydrogen Peroxide SCHEMBL29022846 0.76 CA1 (0.45) CA1CA2CA9KDM4EALDH1A1
SCHEMBL120089 0.76 CA1 (0.45) CA1CA2CA9KDM4EALDH1A1
SCHEMBL3859301 0.76 KMT2A (0.53) ALDH1A1TSHRKMT2ATDP1MRGPRX4
Hydrochloric Acid SCHEMBL3869296 0.74 KMT2A (0.51) KDM4EALDH1A1TSHRKMT2ATDP1
SCHEMBL10447737 0.74 CA1 (0.43) CA1CA2CA9KDM4EALDH1A1
SCHEMBL27929671 0.74 CA1 (0.43) CA1CA2CA9KDM4EALDH1A1
SCHEMBL20445555 0.72 CA1 (0.42) CA1CA2CA9KDM4EALDH1A1
SCHEMBL1499174 0.72 CA1 (0.42) CA1CA2CA9KDM4EALDH1A1
SCHEMBL17278029 0.72 CA1 (0.47) CA1CA2CA9KDM4EALDH1A1

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 CA1 3546/4885CA2 1539/4885CA9 3183/4885

“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.

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