SCHEMBL662680

SCHEMBL662680

CCCc1cc(CO)cc(CCC)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
PPARA Q07869 6/20 0.35
PPARG P37231 4/20 0.35
DHFR P00374 2/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HMGCR P04035 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL7338915 0.89 PPARA (0.34) PPARAPPARGDHFRPOLBNPSR1
SCHEMBL9139332 0.86 DHFR (0.36) PPARAPPARGDHFRPOLBNPSR1
SCHEMBL1515781 0.86 PIM3 (0.34) MAPTPPARAPPARGDHFR
SCHEMBL9137815 0.81 DRD2 (0.40) PPARGPOLBNPSR1HMGCRDRD2
SCHEMBL7342222 0.77 PPARA (0.34) PPARAPPARGDHFR
SCHEMBL7332445 0.77 PPARA (0.32) PPARAPPARGPOLBNPSR1
SCHEMBL13404080 0.77 NPSR1 (0.39) MAPTPOLBNPSR1DRD2
SCHEMBL9131385 0.77 PPARA (0.49) PPARAPPARGPOLB
SCHEMBL9128937 0.76 THRB (0.37) MAPTPOLBNPSR1
SCHEMBL6155473 0.73 CA12 (0.38) MAPTPPARAPPARGDRD2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 US disclosed
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 US disclosed
EP-0774965-A4 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO INC (US) 1997-10-29 EP disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
EP-0774965-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO. INC. (US) 1997-05-28 EP disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 US disclosed
WO-1994021255-A1 SIX-MEMBERED RING FUSED IMIDAZOLES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 US disclosed
US-5246944-A Hypotensive and anxiolytic agents; antidepressants MERCK & CO., INC. (US) 1993-09-21 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
EP-0527534-A1 Quinoline and azaquinoline angiotensin II antagonists MERCK & CO. INC. (US) 1993-02-17 EP disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 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 (1 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD MAPT 4322/4885PPARA 1/4885PPARG 2/4885

“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.