SCHEMBL2525666

SCHEMBL2525666

CC(C)(C)C(=O)CCCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.46
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FAAH O00519 8/20 0.36
CES1 P23141 5/20 0.34
CES2 O00748 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2529981 0.92 GPR84 (0.46) CAMK2AGPR84FFAR1FFAR4FAAH
SCHEMBL2529977 0.90 GPR84 (0.50) GPR84FFAR1FFAR4FAAHCES1
SCHEMBL2529890 0.90 GPR84 (0.50) GPR84FFAR1FFAR4FAAHCES1
SCHEMBL25836002 0.90 GPR84 (0.50) GPR84FFAR1FFAR4FAAHCES1
SCHEMBL16640759 0.85 FAAH (0.46) FAAHCES1CES2KMT2AMEN1
SCHEMBL5021516 0.85 FAAH (0.40) FAAHCES1CES2KMT2AMEN1
SCHEMBL903352 0.82
SCHEMBL12247043 0.82 FAAH (0.48) GPR84FAAHCES1CES2KMT2A
SCHEMBL16722811 0.82 FAAH (0.48) GPR84FAAHCES1CES2KMT2A
SCHEMBL16640758 0.82 FAAH (0.48) GPR84FAAHCES1CES2KMT2A

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
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
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2018-06-21 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
CN-102841504-B Positive photosensitive resin composition and method for forming pattern using the same CHI MEI CORP 2015-03-25 CN disclosed
US-20120328799-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERNS BY USING THE SAME CHI MEI CORPORATION (TW) 2012-12-27 US disclosed
CN-102841504-A Positive photosensitive resin composition and method for forming pattern using the same CHI MEI CORP 2012-12-26 CN disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
US-20110229416-A1 AMPHIPHILIC MACROMOLECULES FOR SOLUBILIZING NANOCRYSTALS VANDERBILT UNIVERSITY 2011-09-22 US disclosed
EP-0597821-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1994-05-18 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 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 (8 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS CAMK2A 1936/4885GPR84 4238/4885FFAR1 4864/4885
US-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 CAMK2A 2790/4885GPR84 2193/4885FFAR1 2894/4885
US-20110229416-A1 AMPHIPHILIC MACROMOLECULES FOR SOLUBILIZING NANOCRYSTALS ANXA2, ANXA6, ANXA1 CAMK2A 4524/4885GPR84 1479/4885FFAR1 2708/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CAMK2A 3420/4885GPR84 1656/4885FFAR1 2618/4885
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS CAMK2A 810/4885GPR84 4346/4885FFAR1 4834/4885
US-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A CAMK2A 3223/4885GPR84 1832/4885FFAR1 1480/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO CAMK2A 3420/4885GPR84 1656/4885FFAR1 2618/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS CAMK2A 1936/4885GPR84 4238/4885FFAR1 4864/4885

“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.