SCHEMBL5160436

SCHEMBL5160436

O=[C]c1cc(Br)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
HPGD P15428 2/20 0.48
CES2 O00748 1/20 0.48
GALR3 O60755 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48
ERN1 O75460 2/20 0.47
GSTA1 P08263 1/20 0.41
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.35
ALOX12 P18054 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL11508298 0.78 HSP90AA1 (0.37) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL247900 0.77 ALOX15 (0.50) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL30689811 0.77 ALOX15 (0.50) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL15074082 0.77 ALOX15 (0.50) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL476017 0.76 NR1H3 (0.45) ALOX15HPGDCES2CYP1A2CYP2C9
SCHEMBL1798477 0.76 HSP90AA1 (0.46) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL5163990 0.73 HSD17B10 (0.50) ALOX15HPGDCYP2C9CASP1CYP2C19
SCHEMBL6895905 0.73 TRPA1 (0.52) ALOX15HPGDMCL1ALDH1A1HTT
SCHEMBL6897410 0.73 ALDH1A1 (0.40) HPGDCYP1A2ALDH1A1HTTKMT2A
SCHEMBL19259371 0.73 KDM4E (0.45) ALOX15CA12CA9ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 EP 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-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL ALOX15 2810/4885HPGD 3057/4885CES2 4471/4885

“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.