SCHEMBL21998681

SCHEMBL21998681

CCCCCCCCCCCCC(=O)Nc1cccc(C(=O)OC)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HPGD P15428 2/20 0.64
MDH1 P40925 3/20 0.63
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 2/20 0.58
MDH2 P40926 1/20 0.56
HIF1A Q16665 1/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL21998663 1.00 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21998673 1.00 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7575475 0.94 ALDH1A1 (0.70) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8548740 0.88 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21999362 0.86 SMN1; SMN2 (0.66) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL12430335 0.86 SMN1; SMN2 (0.66) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL7822881 0.86 SMN1; SMN2 (0.66) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL21998688 0.86 SMN1; SMN2 (0.66) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL21998902 0.86 SMN1; SMN2 (0.66) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL7821193 0.86 SMN1; SMN2 (0.66) ALDH1A1HPGDMEN1KMT2ALMNA

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 ALDH1A1 2259/4885CYP1A2 882/4885CYP3A4 1032/4885

“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.