SCHEMBL5042412

SCHEMBL5042412

O=C(O)COCc1c(O)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
KMT2A Q03164 2/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
ALB P02768 1/20 0.37
PTGIR P43119 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
GNRHR P30968 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALOX15 P16050 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL2352765 0.90 MMP1 (0.44) KDM4EMMP1MMP2KMT2AMMP9
SCHEMBL5041039 0.80 MEP1B (0.43) MAPTKMT2APTGIRALOX15
SCHEMBL5040784 0.80 SMN1; SMN2 (0.49) KMT2ALMNACA12CA1CA2
SCHEMBL5042071 0.76 NPC1 (0.52) MAPTKMT2ALMNA
SCHEMBL27803787 0.75 MMP1 (0.44) KDM4ETP53MAPTMMP1MMP2
SCHEMBL2349654 0.75 FFAR4 (0.46) KMT2APTGIRCES2CES1
SCHEMBL7684567 0.74 MMP1 (0.43) KDM4ETP53MAPTMMP1MMP2
SCHEMBL28822315 0.74 FFAR1 (0.49) KDM4EKMT2AALBAKR1B1
SCHEMBL5037414 0.74 ALDH1A1 (0.53) KDM4EMAPTMMP1MMP2KMT2A
SCHEMBL2089468 0.73 MAPK1 (0.42) KDM4EMAPTMMP1MMP2KMT2A

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 KDM4E 2563/4885TP53 4778/4885MAPT 4423/4885

“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.