SCHEMBL17865331

SCHEMBL17865331

CCCCCCC(=O)C1CCC(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
NAAA Q02083 2/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
TSHR P16473 2/20 0.38
GPR84 Q9NQS5 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
FABP4 P15090 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL25836410 0.90 PRKCA (0.44) PRKCANAAA
SCHEMBL19388544 0.86 PRKCA (0.55) PRKCANAAACES2CES1PPARG
SCHEMBL17733935 0.82 ABL1 (0.48) PRKCACES2CES1ALDH1A1
SCHEMBL22281750 0.78 PARP1 (0.35)
SCHEMBL19526243 0.78 PARP1 (0.35)
SCHEMBL14215879 0.78 CES2 (0.52) NAAACES2CES1PPARGPPARD
SCHEMBL3885339 0.78 CES2 (0.52) NAAACES2CES1PPARGPPARD
SCHEMBL14215972 0.78 CES2 (0.52) NAAACES2CES1PPARGPPARD
SCHEMBL4911800 0.78 CES2 (0.52) NAAACES2CES1PPARGPPARD
SCHEMBL6571414 0.78 CES2 (0.52) NAAACES2CES1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327449-A1 NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-11-16 US disclosed
US-20170327449-A1 NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-11-16 US disclosed
WO-2016097612-A1 NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-06-23 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 (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-20170327449-A1 NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED ADH7, ADH1B, ADH4 PRKCA 1309/4885NAAA 1691/4885CES2 2904/4885

“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.