SCHEMBL2532484

SCHEMBL2532484

CC(C)C(=O)OCCCCO

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.44
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL2530961 0.98 ACHE (0.47) ACHECYP4F2CYP4A11NAAAALDH1A1
SCHEMBL2531108 0.98 ACHE (0.47) ACHECYP4F2CYP4A11NAAAALDH1A1
SCHEMBL2529912 0.93 ACHE (0.37) ACHECYP4F2CYP4A11NAAAALDH1A1
SCHEMBL8421539 0.87 NAAA (0.44) ACHENAAAALDH1A1CYP3A4TSHR
SCHEMBL27982814 0.87 NAAA (0.44) ACHENAAAALDH1A1CYP3A4TSHR
SCHEMBL2550989 0.85 TSHR (0.56) ACHECYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL9480850 0.85 ALDH1A1 (0.40) NAAAALDH1A1CYP3A4TSHREPHX1
SCHEMBL6060295 0.84 ACHE (0.43) ACHECYP4F2CYP4A11NAAAALDH1A1
Ethylene Glycol Diisobutanoate SCHEMBL2948671 0.82 CHRNB2 (0.34) ACHECYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL863285 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
CN-107532302-B Photonasty electroless plating substrate agent 日产化学工业株式会社 2019-10-08 CN disclosed
CN-107532302-A Photonasty electroless plating substrate agent 日产化学工业株式会社 2018-01-02 CN disclosed
CN-102186865-A Method for producing dialkylphosphinic acids, esters and salts using acrylonitrile, and use thereof CLARIANT INT LTD 2011-09-14 CN disclosed
CN-102186864-A Method for producing dialkylphosphinic acids, esters and salts using acrylic acid derivatives, and use thereof CLARIANT INT LTD 2011-09-14 CN disclosed
CN-102177164-A Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols/acroleins and use thereof CLARIANT FINANCE BVI LTD 2011-09-07 CN disclosed
US-20100247597-A1 Biocompatible Polymers for Coating or Fabricating Implantable Medical Devices Medtroni Vascular, Inc. (US) 2010-09-30 US disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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-20100247597-A1 Biocompatible Polymers for Coating or Fabricating Implantable Medical Devices CD47, CD209, TLR3 ACHE 3072/4885CYP4F2 2486/4885CYP4A11 4612/4885

“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.