SCHEMBL3589131

SCHEMBL3589131

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
TNKS O95271 3/20 0.38
MDM2 Q00987 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL3589128 1.00 PRKCZ (0.44) PRKCZALDH1A1LMNATP53MAPT
SCHEMBL14161727 0.86 ALDH1A1 (0.48) ALDH1A1LMNATP53TNKSMDM2
SCHEMBL3586685 0.86 ALDH1A1 (0.49) ALDH1A1LMNATNKSMMP2MMP3
SCHEMBL3584808 0.86 ALDH1A1 (0.49) ALDH1A1LMNATNKSMMP2MMP3
SCHEMBL3593266 0.85 HSD11B1 (0.46) ALDH1A1LMNAMAPTMMP13TSHR
SCHEMBL3593269 0.85 HSD11B1 (0.46) ALDH1A1LMNAMAPTMMP13TSHR
SCHEMBL15186073 0.84 ALDH1A1 (0.41) ALDH1A1LMNATP53TNKSMDM2
SCHEMBL3591787 0.84 HDAC1 (0.42) ALDH1A1LMNAMAPTTNKS
SCHEMBL3596493 0.84 HDAC1 (0.42) ALDH1A1LMNAMAPTTNKS
SCHEMBL3587626 0.83 PPARG (0.39) ALDH1A1LMNATP53TNKSMDM2

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 7 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
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

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 PRKCZ 2082/4885ALDH1A1 2743/4885LMNA 2549/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PRKCZ 2082/4885ALDH1A1 2743/4885LMNA 2549/4885

“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.