SCHEMBL16277091

SCHEMBL16277091

CC(=O)COCC(=O)NCCCCCCCNC(=O)COCC=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CASP2 P42575 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ PAOX Q6QHF9 3/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ EPHX1 P07099 1/20 0.33

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
SCHEMBL22539971 0.85 FAAH (0.58) FAAHCASP2NAAAEPHX1
SCHEMBL16276160 0.83 FAAH (0.39) FAAHKDM4EMAPK1HIF1ASMN1; SMN2
SCHEMBL13411276 0.82 FAAH (0.47) FAAHKDM4EMAPK1HIF1ASMN1; SMN2
SCHEMBL18057043 0.81 FAAH (0.49) FAAHKDM4EMAPK1HIF1ASMN1; SMN2
SCHEMBL12600744 0.78 — —
SCHEMBL15075515 0.78 FAAH (0.56) FAAHMEN1KMT2ACES2CASP2
SCHEMBL15773187 0.75 CYP2C19 (0.38) FAAHSMN1; SMN2ALDH1A1NAMPT
SCHEMBL13411277 0.75 TSHR (0.59) FAAHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21388218 0.73 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1NAMPTLMNA
SCHEMBL27986572 0.73 FAAH (0.70) FAAHMEN1KMT2ACASP2NAAA

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-20140357656-A1 Bivalent Ligands for the Treatment of Neurological Disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2014-12-04 — — 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-20140357656-A1 Bivalent Ligands for the Treatment of Neurological Disorders CCR5, OPRM1, OPRK1 FAAH 1711/4885KDM4E 4113/4885MAPK1 3703/4885

“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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