SCHEMBL3475249

SCHEMBL3475249

O=C(O)C(Cc1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.44
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41

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
SCHEMBL3475310 0.87 ESR1 (0.48) THRB
SCHEMBL1919736 0.86 PTGER4 (0.42) PPARGKMT2A
SCHEMBL3370947 0.83 EPHX1 (0.56) PPARAPPARG
SCHEMBL6378235 0.82 L3MBTL1 (0.42) PPARAPPARG
SCHEMBL6382655 0.81 CPN1 (0.48)
SCHEMBL9109612 0.81 CTSB (0.42) PPARAPPARG
Hydrochloric Acid SCHEMBL6378670 0.80 CPN1 (0.47)
SCHEMBL8869646 0.79 MEN1 (0.64) PPARAPPARGKMT2AMEN1ITGB1
SCHEMBL1919093 0.77 SLC7A5 (0.48) PPARAPPARGITGB1ITGA4
SCHEMBL13494459 0.77 SLC7A5 (0.48) PPARAPPARGITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
EP-2024334-A2 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007136607-A2 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
EP-1641493-A4 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 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 (2 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-20060115425-A1 Substituted amides CNR1, CNR2, FAAH PPARA 213/4885PPARG 172/4885KMT2A 2817/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH PPARA 189/4885PPARG 72/4885KMT2A 2455/4885

“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.