SCHEMBL7427853

SCHEMBL7427853

COc1ccc(COC(=O)c2ccc(CBr)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 6/20 0.56
ESR2 Q92731 1/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
GSK3B P49841 1/20 0.51
MMP9 P14780 2/20 0.51
MMP1 P03956 1/20 0.51

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
SCHEMBL16689961 0.92 KMT2A (0.67) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL27882017 0.88 MAPT (0.67) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL1129093 0.87 MEN1 (0.77) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL16704815 0.86 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL10636593 0.86 NPC1 (0.71) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL27881866 0.86 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL13596050 0.84 KMT2A (0.65) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL14129580 0.84 NPC1 (0.58) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL7399657 0.84 NPC1 (0.69) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL14852921 0.84 LOXL2 (0.60) MAPTNPC1SMN1; SMN2RAB9AKMT2A

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-20020035127-A1 Phenylalanine derivatives CELLTECH THERAPEUTIS, LIMITED 2002-03-21 US disclosed
EP-1051399-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2000-11-15 EP disclosed
WO-1999037618-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-29 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-20020035127-A1 Phenylalanine derivatives PAH, VCAM1, IL4I1 MAPT 2626/4885NPC1 2666/4885SMN1; SMN2 3468/4885

“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.