SCHEMBL4017551

SCHEMBL4017551

CCCCC(O)C(=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 8/20 0.53
▸ SLC6A2 P23975 2/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ ESR1 P03372 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ RNASEL Q05823 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.46
▸ ESR2 Q92731 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TRPV1 Q8NER1 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
SCHEMBL9031281 0.95 HSD17B3 (0.54) HSD17B3SLC6A2SLC6A3ESR1LMNA
SCHEMBL11990926 0.89 SLC6A2 (0.55) HSD17B3SLC6A2SLC6A3ESR1LMNA
SCHEMBL11781795 0.84 CES2 (0.49) SLC6A2SLC6A3LMNAMAPK1NPC1
SCHEMBL28728629 0.82 HSD17B3 (0.53) HSD17B3SLC6A2SLC6A3ESR1LMNA
SCHEMBL28376164 0.81 LMNA (0.56) HSD17B3SLC6A2SLC6A3ESR1LMNA
SCHEMBL27527322 0.81 HSD17B3 (0.51) HSD17B3SLC6A2SLC6A3ESR1LMNA
SCHEMBL10711276 0.80 THRA (0.56) ALDH1A1
SCHEMBL637814 0.79 GPR84 (0.53) SLC6A2SLC6A3LMNAGPR84
SCHEMBL8577344 0.78 LMNA (0.54) HSD17B3SLC6A2SLC6A3ESR1LMNA
SCHEMBL6936418 0.78 CYP4A11 (0.51) ALDH1A1

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
CN-103724269-A Phenyl 1, 2-isoxazole or phenyl 1, 2-pyrazole compound and application thereof SHANGHAI INST MATERIA MEDICA 2014-04-16 — — CN disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 — — US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 — — US disclosed
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2006-06-08 — — US disclosed
EP-1366012-A4 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2005-11-02 — — EP disclosed
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2004-05-13 — — US disclosed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 — — EP disclosed
EP-1366012-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-12-03 — — EP disclosed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 — — EP disclosed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 — — EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 — — EP disclosed
EP-0904079-A4 — — 1999-05-06 — — EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 — — EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 — — US disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 — — EP disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 — — EP disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 — — WO disclosed
WO-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 — — WO disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 — — WO disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 — — 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 (2 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-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD HSD17B3 319/4885SLC6A2 3669/4885SLC6A3 2479/4885
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD HSD17B3 297/4885SLC6A2 4317/4885SLC6A3 3678/4885

“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.

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