SCHEMBL21068650

SCHEMBL21068650

CCOC(=O)COCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
PLA2G4B P0C869 2/20 0.46
AKR1B1 P15121 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42
KMT2A Q03164 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
SCHEMBL9316839 0.94 TSHR (0.44) ALDH1A1PLA2G4BAKR1B1GPR84PPARG
Hydrochloric Acid SCHEMBL8988950 0.93 TSHR (0.43) ALDH1A1PLA2G4BAKR1B1GPR84PPARG
SCHEMBL29556946 0.87 TSHR (0.42) ALDH1A1PLA2G4BAKR1B1GPR84PPARG
SCHEMBL12227363 0.86 GAA (0.44) ALDH1A1PLA2G4BTSHRTDP1HSD17B10
SCHEMBL28943484 0.86 ALDH1A1 (0.50) ALDH1A1PLA2G4BAKR1B1GPR84PPARG
SCHEMBL24882784 0.86 GAA (0.48) ALDH1A1TSHRTDP1ALOX15KMT2A
SCHEMBL21070768 0.86 CES2 (0.52) ALDH1A1TSHRTDP1KMT2AHSD17B10
SCHEMBL21070535 0.85 GAA (0.43) ALDH1A1TSHRTDP1KMT2AHSD17B10
SCHEMBL8988864 0.84 CES2 (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL21069919 0.84 GAA (0.50) ALDH1A1TSHRTDP1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 ALDH1A1 333/4885PLA2G4B 1080/4885AKR1B1 158/4885

“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.