SCHEMBL6493221

SCHEMBL6493221

CCOC(=O)C#CCCN

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CPB2 Q96IY4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL824893 0.83 ALDH1A1 (0.40) CYP1A2ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL17188567 0.83
SCHEMBL187851 0.81 ALDH1A1 (0.39) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL1088906 0.79 HMGCR (0.40) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL126072 0.78
SCHEMBL1089589 0.78 PTPN7 (0.46) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL10163042 0.78 EPHX2 (0.38) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL18446 0.77 ALDH1A1 (0.53) CYP1A2ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL1101207 0.76 PTPN7 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL14873844 0.76 PTPN7 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD

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-6951863-B2 Pyridoarylphenly oxazolidinone antibacterials, and related compositions and methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-10-04 US disclosed
US-20030176422-A1 For therapy of bacterial infections in humans and animals ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-18 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-20030176422-A1 For therapy of bacterial infections in humans and animals OXA1L, PIGS, NDUFS3 CYP1A2 1306/4885ALOX15 1775/4885ALDH1A1 916/4885

“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.