SCHEMBL10021101

SCHEMBL10021101

Cc1ccc(C(O)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
TRPA1 O75762 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PSMB5 P28074 2/20 0.44
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
SLC6A2 P23975 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL24785864 0.89 NR3C2 (0.46) LMNAPSMB5TAAR1CYP2A6NR3C2
4-Methylbenzoic Acid SCHEMBL28543674 0.84 ADRB1 (0.57) CNR1CNR2PPARGPPARAPSMB5
SCHEMBL4355212 0.84 LMNA (0.58) LMNATRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL125923 0.84 LMNA (0.58) LMNATRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL13232184 0.83 TRPA1 (0.50) CNR2LMNACYP2D6TRPA1TAAR1
SCHEMBL29938176 0.83 SLC6A2 (0.55) CNR1CNR2LMNACYP2D6CYP2C19
SCHEMBL30849688 0.82 PPARG (0.48) CNR1CNR2LMNACYP3A4CYP2D6
SCHEMBL10021106 0.82 PPARG (0.48) CNR1CNR2LMNACYP3A4CYP2D6
SCHEMBL7144068 0.82 ADRB2 (0.68) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7144066 0.82 ADRB2 (0.68) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 US disclosed
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 US disclosed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
WO-2017106930-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-06-29 WO disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-20150274658-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. (US) 2015-10-01 US disclosed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US disclosed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 US disclosed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP disclosed
WO-2008100809-A1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2008-08-21 WO disclosed
WO-2008091818-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-31 WO disclosed
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. 2008-03-06 US disclosed
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts OLD DAVID W 2008-03-06 US disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 US disclosed
US-20080039505-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. 2008-02-14 US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 US disclosed
US-4980508-A Oxidation of 1,2-disulonyhydrazine compound with concentrated nitric acid MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-12-25 US disclosed
US-4980268-A POLYAMIC ACID CONVERTIBLE TO POLYIMIDES CIBA-GEIGY CORPORATION (US) 1990-12-25 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 (10 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-20150274658-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD CNR1 2923/4885CNR2 2863/4885LMNA 3171/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CNR1 532/4885CNR2 356/4885LMNA 3131/4885
US-20080039505-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD CNR1 2923/4885CNR2 2863/4885LMNA 3171/4885
US-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 CNR1 2706/4885CNR2 1820/4885LMNA 2017/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 CNR1 241/4885CNR2 173/4885LMNA 935/4885
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 CNR1 1923/4885CNR2 464/4885LMNA 983/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 CNR1 811/4885CNR2 692/4885LMNA 1615/4885
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 CNR1 1434/4885CNR2 429/4885LMNA 1226/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 CNR1 1065/4885CNR2 913/4885LMNA 2284/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CNR1 532/4885CNR2 356/4885LMNA 3131/4885

“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.