SCHEMBL21998741

SCHEMBL21998741

CCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
TSHR P16473 3/20 0.65
MAPT P10636 4/20 0.64
LMNA P02545 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
RAB9A P51151 1/20 0.63
NAMPT P43490 1/20 0.61
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
THRB P10828 2/20 0.58
MAPK1 P28482 1/20 0.58
THRA P10827 1/20 0.58
HTT P42858 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
SCHEMBL21998653 1.00 GAA (0.68) GAATSHRMAPTLMNATDP1
SCHEMBL5217418 1.00 GAA (0.68) GAATSHRMAPTLMNATDP1
SCHEMBL11384519 0.99 GAA (0.70) GAATSHRMAPTLMNATDP1
SCHEMBL11173456 0.90 GAA (0.67) GAATSHRMAPTLMNATDP1
SCHEMBL21999373 0.88 MEN1 (0.66) MAPTLMNARAB9AALDH1A1MEN1
SCHEMBL21998749 0.88 MEN1 (0.66) MAPTLMNARAB9AALDH1A1MEN1
SCHEMBL21998667 0.88 MEN1 (0.66) MAPTLMNARAB9AALDH1A1MEN1
SCHEMBL9843022 0.88 GAA (0.76) GAATSHRMAPTLMNATDP1
SCHEMBL2839586 0.87 MEN1 (0.68) GAAMAPTLMNARAB9AALDH1A1
SCHEMBL10787414 0.87 GAA (0.62) GAATSHRMAPTLMNATDP1

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 GAA 2856/4885TSHR 4054/4885MAPT 631/4885

“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.