SCHEMBL14036455

SCHEMBL14036455

CCNCc1ccc(OCc2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.55
CCR5 P51681 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47
ATM Q13315 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL13973354 0.87 SMN1; SMN2 (0.63) CCR5KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14036505 0.86 GAA (0.48) PPARACCR5KMT2AMEN1SMN1; SMN2
SCHEMBL14036448 0.85 MRGPRX4 (0.58) CCR5KMT2AMEN1SMN1; SMN2MRGPRX4
SCHEMBL13959130 0.83 PPARA (0.55) PPARAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13973502 0.80 GAA (0.43) PPARACCR5KMT2AMEN1SMN1; SMN2
SCHEMBL17858626 0.78 MRGPRX4 (0.53) PPARAKMT2AMEN1SMN1; SMN2ATM
SCHEMBL22793766 0.77 PPARA (0.51) PPARAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22793615 0.77 PPARA (0.48) PPARAKMT2ASMN1; SMN2ALDH1A1PKM
SCHEMBL6416920 0.77 LMNA (0.54) KMT2AMEN1ALDH1A1HTR1AHTR1D
SCHEMBL13973144 0.76 MAOB (0.57)

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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP PPARA 1163/4885CCR5 1443/4885KMT2A 4561/4885

“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.