SCHEMBL7329622

SCHEMBL7329622

CCCc1cc(C(=O)OC)ccc1OC(C(=O)OCC)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.57
EDNRB P24530 3/20 0.57
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 4/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.43
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7339368 0.90 EDNRA (0.61) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL7338553 0.90 EDNRA (0.48) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL8789773 0.89 EDNRA (0.58) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL8903642 0.89 EDNRA (0.60) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL8903647 0.89 EDNRA (0.60) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL8123034 0.87 EDNRB (0.44) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL7339477 0.86 EDNRA (0.59) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL8681751 0.85 EDNRA (0.43) EDNRAEDNRBMAPTTSHRALDH1A1
SCHEMBL7333529 0.83 EDNRA (0.76) EDNRAEDNRBSMN1; SMN2AGTR1
SCHEMBL23514982 0.82 EDNRA (0.63) EDNRAEDNRBSMN1; SMN2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039319-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES DHANOA DALJIT SINGH (US) 2023-02-09 US disclosed
WO-2021118826-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES DHANOA DALJIT (US) 2021-06-17 WO disclosed
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP 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
US-5559135-A TREATMENT OF CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS OR ANTIASTHMATICS MERCK & CO., INC. (US) 1996-09-24 US disclosed
US-5538991-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISORDERS, PROSTATE HYPERPLASIA OR ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1996-07-23 US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996008487-A1 ENDOTHELIN ANTAGONISTS BEARING PYRIDYL AMIDES MERCK & CO., INC. (US) 1996-03-21 WO disclosed
WO-1996008486-A1 ENDOTHELIN ANTAGONISTS BEARING 5-MEMBERED HETEROCYCLIC AMIDES MERCK & CO., INC. (US) 1996-03-21 WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 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 (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-20230039319-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES AGTR2, AGTR1, EDNRA EDNRA 3/4885EDNRB 4/4885MAPT 4189/4885

“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.