SCHEMBL3587626

SCHEMBL3587626

O=C1CCC(c2cccc(OCCO)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TNKS O95271 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
FFAR1 O14842 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3587623 1.00 PPARG (0.39) PPARGLMNAALDH1A1PPARDPPARA
SCHEMBL3597595 0.96 TNKS (0.39) PPARGLMNAPPARATNKSTP53
SCHEMBL3597596 0.96 TNKS (0.39) PPARGLMNAPPARATNKSTP53
SCHEMBL3594064 0.89 HTR1A (0.37) TNKSTP53MDM2CTSGCMA1
SCHEMBL3594069 0.89 HTR1A (0.37) TNKSTP53MDM2CTSGCMA1
SCHEMBL3595591 0.85 LMNA (0.38) PPARGLMNAALDH1A1TNKSHCRTR1
SCHEMBL3595594 0.85 LMNA (0.38) PPARGLMNAALDH1A1TNKSHCRTR1
SCHEMBL3593269 0.84 HSD11B1 (0.46) LMNAALDH1A1HCRTR1HCRTR2KMT2A
SCHEMBL3593266 0.84 HSD11B1 (0.46) LMNAALDH1A1HCRTR1HCRTR2KMT2A
SCHEMBL3589061 0.84 GAA (0.35) PPARGLMNAPPARDPPARAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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 (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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PPARG 110/4885LMNA 2549/4885ALDH1A1 2743/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PPARG 110/4885LMNA 2549/4885ALDH1A1 2743/4885

“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.