SCHEMBL13964304

SCHEMBL13964304

CCCCC(=O)N(C)CCCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ EPHX2 P34913 3/20 0.46
▸ CNR1 P21554 1/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACHE P22303 3/20 0.37
▸ BCHE P06276 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ KDM4C Q9H3R0 7/20 0.37
▸ KDM5A P29375 6/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ PHF8 Q9UPP1 2/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL12793200 0.86 EPHX2 (0.36) ALDH1A1EPHX2CNR1NPC1SMN1; SMN2
SCHEMBL22021691 0.85 EPHX2 (0.50) ALDH1A1EPHX2CNR1CES2CES1
SCHEMBL20673423 0.84 ALDH1A1 (0.62) ALDH1A1EPHX2CNR1NPC1SMN1; SMN2
SCHEMBL22166531 0.84 EPHX2 (0.53) ALDH1A1EPHX2CNR1CES2CES1
SCHEMBL22166535 0.84 EPHX2 (0.53) ALDH1A1EPHX2CNR1CES2CES1
SCHEMBL22021679 0.82 EPHX2 (0.36) ALDH1A1EPHX2CNR1ACHEBCHE
SCHEMBL13773023 0.82 EPHX2 (0.62) ALDH1A1EPHX2CNR1NPC1SMN1; SMN2
SCHEMBL7940018 0.82 ALDH1A1 (0.65) ALDH1A1EPHX2CNR1NPC1SMN1; SMN2
SCHEMBL14045500 0.80 EPHX2 (0.65) ALDH1A1EPHX2CNR1ACHEBCHE
SCHEMBL21710075 0.80 ALDH1A1 (0.62) ALDH1A1EPHX2CNR1NPC1SMN1; 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 — — 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA ALDH1A1 1102/4885EPHX2 1027/4885CNR1 4572/4885

“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.

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