SCHEMBL5870187

SCHEMBL5870187

O=C1OC[C@H](CO)N1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.36
PPARA Q07869 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 2/20 0.34
MAOB P27338 1/20 0.32
PPARG P37231 2/20 0.32
NOTUM Q6P988 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL5870192 1.00 HDAC1 (0.36) HDAC1PPARAL3MBTL1ARMAOB
SCHEMBL5870196 0.85 HDAC1 (0.34) HDAC1PPARAL3MBTL1MAOBPPARG
SCHEMBL5870204 0.85 HDAC1 (0.34) HDAC1PPARAL3MBTL1MAOBPPARG
SCHEMBL21582050 0.82 HDAC1 (0.47) HDAC1PPARAPPARG
SCHEMBL9453176 0.82 HDAC1 (0.47) HDAC1PPARAPPARG
SCHEMBL9453178 0.82 HDAC1 (0.47) HDAC1PPARAPPARG
SCHEMBL8255071 0.78 S1PR1 (0.38) HDAC1L3MBTL1NOTUM
SCHEMBL19259506 0.76 HCRTR1 (0.48) L3MBTL1HCRTR1HCRTR2
SCHEMBL8256335 0.76 HDAC1 (0.36) HDAC1PPARAPPARGHCRTR1HCRTR2
SCHEMBL5869425 0.76 HDAC1 (0.36) HDAC1PPARAPPARGHCRTR1HCRTR2

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 HDAC1 236/4885PPARA 540/4885L3MBTL1 4525/4885

“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.