SCHEMBL2021066

SCHEMBL2021066

CCN(CCCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.39
ALDH2 P05091 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AKR1B1 P15121 1/20 0.36
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
PTPN1 P18031 3/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL31504950 0.95 CA14 (0.47) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL20262970 0.91 CA14 (0.51) CA14ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL18597221 0.89 ALDH1A1 (0.49) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL23660788 0.86 CA14 (0.44) CA14HDAC1HDAC2HDAC6MEN1
SCHEMBL15085740 0.85 CA14 (0.53) CA14HDAC1HDAC2HDAC6TDP1
SCHEMBL20556291 0.85 GPR84 (0.48) CA14ALDH1A1AKR1B1GPR84PPARG
SCHEMBL2579658 0.84 CA14 (0.53) CA14ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL16713413 0.84 CA14 (0.53) CA14ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL14175259 0.84 CA12 (0.50) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL22157863 0.83 CA14 (0.42) CA14ALDH1A1HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122822-A1 FLOW BATTERIES WITH INSOLUBLE POLYMER SUPPORTED REDOX ACTIVE MATERIALS U.S. DEPARTMENT OF ENERGY 2023-04-20 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
CN-101827838-A Cannabinoid receptor ligand ASTRAZENECA AB 2010-09-08 CN disclosed
EP-2190838-A1 CANNABINOID RECEPTOR LIGANDS AstraZeneca AB (SE) 2010-06-02 EP disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 CA14 3007/4885ALDH1A1 517/4885ALDH2 2643/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 CA14 4024/4885ALDH1A1 2240/4885ALDH2 4263/4885

“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.