SCHEMBL334409

SCHEMBL334409

CC(=O)OCCc1cc(C)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
TNKS2 Q9H2K2 1/20 0.39
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
TLR8 Q9NR97 1/20 0.35
MET P08581 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ABCB1 P08183 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL27450326 0.90 TNKS2 (0.43) CNR1TNKS2RAD52ALDH1A1TSHR
SCHEMBL27653318 0.88 TNKS2 (0.44) CNR1TNKS2RAD52ALDH1A1TSHR
SCHEMBL1423103 0.83 TNKS2 (0.42) CNR1TNKS2ALDH1A1TSHRTLR8
SCHEMBL12014019 0.83 ALDH1A1 (0.47) CNR1ALDH1A1KDM4ETACR1
SCHEMBL334184 0.82 TNKS2 (0.41) CNR1TNKS2RAD52ALDH1A1TSHR
SCHEMBL28785864 0.82 TNKS2 (0.38) CNR1TNKS2RAD52ALDH1A1TSHR
SCHEMBL13150548 0.80 TNKS2 (0.37) CNR1TNKS2ALDH1A1TSHRTLR8
SCHEMBL10752951 0.77 ALDH1A1 (0.46) CNR1ALDH1A1KDM4EHPGDCA1
SCHEMBL13667239 0.77 MAOB (0.49) CNR1ALDH1A1HPGDPOLB
SCHEMBL1421997 0.77 TNKS2 (0.36) TNKS2RAD52ALDH1A1TSHRTLR8

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
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-7803797-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2010-09-28 US disclosed
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2010-07-01 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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 (3 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-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS GBA1, GNAO1, UGT2B7 CNR1 292/4885TNKS2 3033/4885RAD52 3962/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG CNR1 124/4885TNKS2 4824/4885RAD52 3852/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP CNR1 3222/4885TNKS2 2260/4885RAD52 2025/4885

“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.