SCHEMBL21137757

SCHEMBL21137757

CCCCCCC(C)(CCCC)C(C)(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL18852722 0.98 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL29010402 0.98 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL29087974 0.94 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL11527274 0.90 CES2 (0.41) CES2GPR84PPARGPPARDPPARA
SCHEMBL7613392 0.81 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL5970077 0.81 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL28868120 0.81 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL18097881 0.81 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL8976725 0.81 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL942759 0.81 CES2 (0.44) CES2GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 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 (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-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 CES2 1139/4885GPR84 28/4885PPARG 86/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 CES2 909/4885GPR84 36/4885PPARG 43/4885

“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.