SCHEMBL4607710

SCHEMBL4607710

COC(=O)C(C)(C)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
KCNN4 O15554 1/20 0.48
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
NLRP3 Q96P20 1/20 0.40
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 2/20 0.39
LMNA P02545 1/20 0.39
CA5A P35218 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13114547 0.86 KCNN4 (0.46) CNR1CNR2HSD17B1HSD17B2KCNN4
SCHEMBL12569583 0.84 CNR1 (0.55) CNR1CNR2KCNN4LMNAHSD17B10
SCHEMBL3923273 0.83 CNR2 (0.51) CNR1CNR2HSD17B1HSD17B2CYP3A4
SCHEMBL10292299 0.82 CNR1 (0.47) CNR1CNR2HSD17B1HSD17B2KCNN4
SCHEMBL17420439 0.82 KCNN4 (0.46) CNR1CNR2HSD17B1HSD17B2KCNN4
SCHEMBL1068045 0.82 CNR1 (0.50) CNR1CNR2KCNN4CYP3A4ALDH1A1
SCHEMBL3507981 0.82 NPC1 (0.49) CNR1CNR2KCNN4LMNANPC1
SCHEMBL7780246 0.82 NPSR1 (0.50) CNR1CNR2KCNN4ALDH1A1LMNA
SCHEMBL5667027 0.82 CNR1 (0.47) CNR1CNR2HSD17B1HSD17B2KCNN4
SCHEMBL31560866 0.82 NPSR1 (0.50) CNR1CNR2KCNN4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
CN-1329607-A Substituted benzopyran analogs for the treatment of inflammation SEARLE & CO (US) 2002-01-02 CN disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
US-5298511-A Alkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-29 US disclosed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 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-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 CNR1 45/4885CNR2 55/4885HSD17B1 696/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 CNR1 804/4885CNR2 1576/4885HSD17B1 76/4885
US-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD CNR1 291/4885CNR2 417/4885HSD17B1 692/4885

“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.