SCHEMBL10088127

SCHEMBL10088127

CCCCCC(=O)NC(C)CC(=O)NCCCC(C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.46
▸ FAAH O00519 6/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PLA2G10 O15496 2/20 0.44
▸ EPHX2 P34913 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PLA2G2C Q5R387 1/20 0.41
▸ DNM1 Q05193 1/20 0.40

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
SCHEMBL14049054 0.90 ALDH1A1 (0.48) NOD1FAAHALDH1A1MEN1MAPK1
SCHEMBL10088106 0.90 FAAH (0.36) NOD1FAAHALDH1A1KMT2APLA2G10
SCHEMBL10359007 0.88 FAAH (0.53) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL10088129 0.87 FAAH (0.50) NOD1FAAHALDH1A1MEN1MAPK1
SCHEMBL15268251 0.86 FAAH (0.52) NOD1FAAHALDH1A1MEN1MAPK1
SCHEMBL10088128 0.84 CASP2 (0.53) NOD1FAAHALDH1A1EPHX2SMN1; SMN2
SCHEMBL10088089 0.76 FAAH (0.38) NOD1FAAHALDH1A1MEN1MAPK1
SCHEMBL21686226 0.75 FAAH (0.59) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL14854452 0.74 FAAH (0.53) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL9828757 0.74 FAAH (0.61) NOD1FAAHALDH1A1MEN1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8092782-B2 Polybiotin compounds of magnetic resonance imaging and drug delivery THE GENERAL HOSPITAL CORPORATION (US) 2012-01-10 — — US disclosed
US-20090010845-A1 Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery THE GENERAL HOSPITAL CORPORATION (US) 2009-01-08 — — 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-20090010845-A1 Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery BTD, BCAT1, BRD4 NOD1 101/4885FAAH 3209/4885ALDH1A1 4091/4885

“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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