SCHEMBL21998737

SCHEMBL21998737

CCCCCCCCCC(=O)Nc1ccc(C(=O)O)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.59
PPARA Q07869 1/20 0.59
CNR1 P21554 2/20 0.57
CNR2 P34972 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51

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
SCHEMBL21998914 1.00 PPARG (0.59) PPARGPPARACNR1CNR2L3MBTL1
SCHEMBL21998682 1.00 PPARG (0.59) PPARGPPARACNR1CNR2L3MBTL1
SCHEMBL20328289 0.90 CNR1 (0.57) CNR1CNR2L3MBTL1GAATDP1
SCHEMBL20328740 0.89 CNR1 (0.56) CNR1CNR2L3MBTL1GAATDP1
SCHEMBL20329048 0.88 SMN1; SMN2 (0.55) CNR1CNR2L3MBTL1GAATDP1
SCHEMBL20328340 0.85 CNR1 (0.53) CNR1CNR2L3MBTL1GAATDP1
SCHEMBL8756718 0.84 CNR1 (0.76) CNR1CNR2HPGDALDH1A1
SCHEMBL10604764 0.83 CNR1 (0.66) CNR1CNR2L3MBTL1GAATDP1
SCHEMBL3218403 0.83 ALDH1A1 (0.62) PPARANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1592797 0.83 ALDH1A1 (0.62) PPARANPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH PPARG 344/4885PPARA 636/4885CNR1 803/4885

“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.