SCHEMBL21998910

SCHEMBL21998910

CCCCCCCCCCCCC(=O)NCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
MAPK1 P28482 2/20 0.63
TBXAS1 P24557 4/20 0.60
QPCT Q16769 2/20 0.59
HTT P42858 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
IDE P14735 1/20 0.53
TLR2 O60603 1/20 0.52

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
SCHEMBL21999370 1.00 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1TBXAS1QPCTHTT
SCHEMBL7287782 1.00 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1TBXAS1QPCTHTT
Hydrochloric Acid SCHEMBL29729358 0.99 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1TBXAS1QPCTHTT
SCHEMBL28530720 0.99 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1TBXAS1QPCTHTT
SCHEMBL20546951 0.91 FAAH (0.56) SMN1; SMN2MAPK1TBXAS1HTTMEN1
SCHEMBL20546903 0.91 FAAH (0.56) SMN1; SMN2MAPK1TBXAS1HTTMEN1
SCHEMBL20546901 0.91 FAAH (0.56) SMN1; SMN2MAPK1TBXAS1HTTMEN1
SCHEMBL20546950 0.91 FAAH (0.56) SMN1; SMN2MAPK1TBXAS1HTTMEN1
SCHEMBL13126284 0.91 SELP (0.57) SMN1; SMN2MAPK1TBXAS1QPCTHTT
SCHEMBL31282820 0.87 NMT2 (0.53) SMN1; SMN2MAPK1TBXAS1QPCTHTT

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 SMN1; SMN2 4775/4885MAPK1 4026/4885TBXAS1 3743/4885

“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.