SCHEMBL197882

SCHEMBL197882

CCOC(=O)C(C)(C)Oc1cccc(O)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.64
PPARG P37231 4/20 0.64
FBP1 P09467 9/20 0.60
CYP3A4 P08684 2/20 0.59
ABCB11 O95342 1/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
HTR2A P28223 1/20 0.59
PMP22 Q01453 1/20 0.59
GRM2 Q14416 1/20 0.45
CNR1 P21554 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
Phenol SCHEMBL4706535 0.88 PPARA (0.63) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL20730087 0.88 PPARA (0.64) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL12670824 0.86 PPARA (0.62) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL655568 0.85 PPARA (0.61) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL421202 0.85 PPARA (0.61) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL31357666 0.85 PPARA (0.61) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL4422408 0.85 PPARA (0.68) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL7988059 0.85 PPARA (0.61) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL3824177 0.85 OPRK1 (0.54) PPARAPPARGFBP1CYP3A4ABCB11
SCHEMBL1549954 0.84 PPARA (0.60) PPARAPPARGFBP1CYP3A4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321282-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
US-8088930-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES ACKERMANN JEAN 2011-09-29 US disclosed
EP-2321282-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO disclosed
US-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 US disclosed
US-20100035953-A1 Pyrazole Phenyl Derivatives ACKERMANN JEAN 2010-02-11 US disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
EP-1206457-B1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2003-10-15 EP disclosed
US-6610696-B2 Such as 2-(4-(2-(2-(4-(3,5-dimethyl-isoxazol-4-yl)-phenyl)-5-methyloxazol-4-yl) -ethyoxy)-phenoxy)-2-methylpropionic acid for treatment of diabetes (lowering serum triglycerides) ELI LILLY AND COMPANY 2003-08-26 US disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
US-20030045558-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY & COMPANY LILY CORPORATE CENTER (US) 2003-03-06 US disclosed
WO-2001016120-A9 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2002-07-11 WO disclosed
US-6417212-B1 PHENYLOXAZOLE SUBSTITUTED ON BENZENEOXYPROPIONIC ACID OR ESTERS ELI LILLY & COMPANY 2002-07-09 US disclosed
EP-1206457-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2002-05-22 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed
WO-2001016120-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2001-03-08 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 (4 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-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES CYP3A7, ECI1, CYP2B6 PPARA 322/4885PPARG 108/4885FBP1 1692/4885
US-20100035953-A1 Pyrazole Phenyl Derivatives PPARD, PPARG, PPARA PPARA 3/4885PPARG 2/4885FBP1 1016/4885
US-20030045558-A1 Modulators of peroxisome proliferator activated receptors PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885FBP1 1954/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA PPARA 3/4885PPARG 2/4885FBP1 1016/4885

“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.