SCHEMBL21998688

SCHEMBL21998688

CCCCCCCC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
HTT P42858 1/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
SOAT2 O75908 1/20 0.60
SOAT1 P35610 1/20 0.60
NR1H4 Q96RI1 3/20 0.60
LMNA P02545 1/20 0.58

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
SCHEMBL21998902 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL7821193 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL12430335 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL7824612 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL21999362 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL7822881 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL27501194 0.99 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL7567258 0.94 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL10424495 0.92 SOAT2 (0.74) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL10602602 0.92 SOAT2 (0.74) SMN1; SMN2NPC1RAB9AHTTMEN1

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 4775/4885NPC1 423/4885RAB9A 3627/4885

“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.