SCHEMBL3587601

SCHEMBL3587601

O=C1CCC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.87
ALDH1A1 P00352 1/20 0.87
POLB P06746 2/20 0.59
GLA P06280 1/20 0.53
MMP2 P08253 1/20 0.51
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LTA4H P09960 2/20 0.49
ATM Q13315 1/20 0.47
MGLL Q99685 2/20 0.47
MEN1 O00255 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
GAA P10253 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45

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
SCHEMBL32668241 0.90 POLB (0.70) LMNAALDH1A1POLBGLAKMT2A
SCHEMBL3780616 0.88 LMNA (0.67) LMNAALDH1A1POLBGLAKMT2A
SCHEMBL17281692 0.83 MGLL (0.65) LMNAALDH1A1POLBGLAMMP2
SCHEMBL22417364 0.81 MGLL (0.68) LMNAALDH1A1POLBGLAKMT2A
SCHEMBL19387227 0.81 ALDH1A1 (0.60) LMNAALDH1A1POLBGLAKMT2A
SCHEMBL6140503 0.80 LMNA (0.79) LMNAALDH1A1POLBKMT2AMGLL
SCHEMBL21846695 0.80 ALDH1A1 (0.58) LMNAALDH1A1POLBGLAMMP13
SCHEMBL23952826 0.77 POLB (0.59) LMNAALDH1A1POLBGLAKMT2A
SCHEMBL3036220 0.77 ALDH1A1 (0.58) LMNAALDH1A1POLBMGLLGAA
SCHEMBL11478927 0.77 CA12 (0.67) LMNAALDH1A1POLBGLAKMT2A

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 20 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 disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
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-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-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
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed
EP-0599886-B1 MACROMONOMERS HAVING REACTIVE END GROUPS MISSISSIPPI POLYMER TECH INC (US) 2001-03-21 EP disclosed
US-5973075-A POLYPHENYL RESINS MAXDEM INCORPORATION (US) 1999-10-26 US disclosed
US-5827927-A Macromonomers having reactive end groups MAXDEM INCORPORATED (US) 1998-10-27 US disclosed
US-5824744-A RIGID POLYMER RODS AND MACROMONOMERS WITH REACTIVE END GROUPS FOR REINFORCEMENT MAXDEM INCORPORATED (US) 1998-10-20 US disclosed
US-5670564-A Macromonomers having reactive end groups MAXDEM INCORPORATED (US) 1997-09-23 US disclosed
EP-0599886-A4 MACROMONOMERS HAVING REACTIVE END GROUPS. MAXDEM INC (US) 1996-07-24 EP disclosed
EP-0599886-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1994-06-08 EP disclosed
WO-1993004099-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1993-03-04 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LMNA 2549/4885ALDH1A1 2743/4885POLB 4041/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LMNA 2549/4885ALDH1A1 2743/4885POLB 4041/4885

“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.