SCHEMBL3192189

SCHEMBL3192189

CCCCCCCCNC(=O)c1cc(OCC(=O)O)cs1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PLA2G4B P0C869 1/20 0.43
GPR84 Q9NQS5 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3196216 0.89 MEN1 (0.46) NAAAKDM4EGPR84L3MBTL1MGLL
SCHEMBL13484394 0.88 NPC1 (0.50) NAAAKDM4EGPR84L3MBTL1MGLL
SCHEMBL3195226 0.85 PSEN1 (0.43) NAAAKDM4EGPR84L3MBTL1
SCHEMBL3195666 0.77 NAAA (0.54) NAAAKDM4EGPR84L3MBTL1ALDH1A1
SCHEMBL13484579 0.74 PPARA (0.41) PPARAPPARGTSHRPLA2G4BALDH1A1
SCHEMBL11750707 0.74 PLA2G2A (0.49) TSHRPLA2G4BL3MBTL1
SCHEMBL11749459 0.74 PLA2G2A (0.49) TSHRPLA2G4BL3MBTL1
SCHEMBL11186709 0.73 NAAA (0.40) NAAAL3MBTL1ALDH1A1
SCHEMBL162575 0.71 SMN1; SMN2 (0.53) NAAATSHRKDM4EL3MBTL1ALDH1A1
SCHEMBL159508 0.71 RAB9A (0.50) NAAATSHRKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
WO-2007014249-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME JOHNS HOPKINS UNIVERSITY (US) 2007-02-01 WO 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-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CYP3A7, DHCR7, CYP2A7 NAAA 3955/4885PPARA 1135/4885PPARG 1029/4885

“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.