SCHEMBL21998679

SCHEMBL21998679

CCCCCCCCCCCCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.52
CNR1 P21554 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL21998921 1.00 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10CNR1
SCHEMBL21998903 1.00 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10CNR1
SCHEMBL4315477 0.97 KDM4E (0.51) KDM4ELMNAALDH1A1HSD17B10CNR1
SCHEMBL10602139 0.92 CNR1 (0.64) KDM4EALDH1A1CNR1CYP1A2CYP3A4
SCHEMBL4315463 0.92 HDAC3 (0.55) KDM4ELMNAALDH1A1CNR1NPC1
SCHEMBL4310606 0.92 HDAC3 (0.55) KDM4ELMNAALDH1A1CNR1NPC1
SCHEMBL4305918 0.89 CNR1 (0.45) KDM4ELMNAALDH1A1CNR1NPC1
SCHEMBL4309070 0.89 CNR1 (0.45) KDM4ELMNAALDH1A1CNR1NPC1
SCHEMBL1819402 0.87 KDM4E (0.61) KDM4ELMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21998673 0.86 ALDH1A1 (0.67) LMNAALDH1A1NPC1RAB9ASMN1; SMN2

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 KDM4E 4414/4885LMNA 2397/4885ALDH1A1 2259/4885

“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.