SCHEMBL5267908

SCHEMBL5267908

CC[C@@H](CO)N(C=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
HCAR2 Q8TDS4 1/20 0.33
TSHR P16473 1/20 0.33
TRPA1 O75762 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
SCHEMBL28198587 0.85 ALOX5 (0.39) ALOX5ALDH1A1TSHR
SCHEMBL5268183 0.83 ALDH1A1 (0.40) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL16166282 0.79 SLC1A3 (0.41) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL6487212 0.79 LMNA (0.44) ALOX5ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL27317823 0.79 SLC1A3 (0.36) ALDH1A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL5275935 0.79 ALDH1A1 (0.35) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL17170436 0.79 CYP2C9 (0.34) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL9339995 0.78 ALDH1A1 (0.36) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL28010685 0.78 POLB (0.43) ALOX5ALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL11051963 0.77 MAOB (0.48) ALDH1A1L3MBTL1

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
EP-1287006-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2007-10-24 EP disclosed
US-7138547-B2 Antitumoral compounds PHARMA MAR, S.A. 2006-11-21 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 ALOX5 3204/4885ALDH1A1 1235/4885SLC1A3 2878/4885

“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.