SCHEMBL5505565

SCHEMBL5505565

O=C(O)c1cc(CCO)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.49
LCK P06239 2/20 0.47
ACMSD Q8TDX5 1/20 0.46
PARP1 P09874 1/20 0.44
KLKB1 P03952 1/20 0.43
CTSB P07858 1/20 0.43
MMP9 P14780 1/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3B Q9UBC3 1/20 0.43
DNMT3L Q9UJW3 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.42
CDC25B P30305 1/20 0.42
CASP6 P55212 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL3932196 0.87 RARB (0.49) LCKACMSDKLKB1CTSBMMP9
SCHEMBL1401542 0.85 MRGPRX4 (0.51) MRGPRX4LCKACMSDPARP1KLKB1
SCHEMBL5398835 0.84 KAT8 (0.51) MRGPRX4LCKPARP1KLKB1CTSB
SCHEMBL109609 0.82 LCK (0.52) LCKACMSDKLKB1CTSBMMP9
SCHEMBL14670236 0.81 MRGPRX4 (0.51) MRGPRX4LCKPARP1KLKB1CTSB
SCHEMBL6604457 0.79 FOLH1 (0.57) MRGPRX4LCKPARP1KLKB1CTSB
SCHEMBL13622151 0.79 MRGPRX4 (0.50) MRGPRX4LCKPARP1KLKB1CTSB
SCHEMBL18901395 0.79 MRGPRX4 (0.50) MRGPRX4LCKPARP1KLKB1CTSB
SCHEMBL11888130 0.79 METAP2 (0.51) MRGPRX4PARP1KLKB1CTSBMMP9
SCHEMBL30851337 0.79 MRGPRX4 (0.50) MRGPRX4LCKPARP1KLKB1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100393698-C Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2008-06-11 CN disclosed
CN-101124201-A PARP inhibitors KUDOS PHARM LTD (GB) 2008-02-13 CN disclosed
EP-1828118-A1 PARP INHIBITORS Kudos Pharmaceuticals Ltd (GB) 2007-09-05 EP disclosed
CN-1826316-A Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2006-08-30 CN disclosed
WO-2006067472-A1 PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 WO disclosed
US-20060135770-A1 PARP inhibitors KUDOS PHARMACEUTICALS LTD. (GB) 2006-06-22 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-20060135770-A1 PARP inhibitors PARP2, PARP1, PARP3 MRGPRX4 2313/4885LCK 4466/4885ACMSD 4661/4885

“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.