SCHEMBL7598177

SCHEMBL7598177

O=C(O)[C@H](O)[C@@H](C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
CYP2D6 P10635 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SRC P12931 1/20 0.45
CYP3A4 P08684 1/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
MDM2 Q00987 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL28830240 0.85 LMNA (0.65) LMNACES2CES1CYP2D6TDP1
SCHEMBL7827857 0.83 CYP2D6 (0.74) LMNACES2CES1CYP2D6TDP1
SCHEMBL28017300 0.83 CYP2D6 (0.73) LMNACES2CES1CYP2D6TDP1
SCHEMBL726677 0.80 KMO (0.48) CYP2D6TSHRKMT2A
SCHEMBL19984715 0.80 LMNA (0.59) LMNACES2CES1CYP2D6TDP1
SCHEMBL19984712 0.80 LMNA (0.59) LMNACES2CES1CYP2D6TDP1
SCHEMBL29719387 0.79 TDP1 (0.59) LMNACES2CES1CYP2D6TDP1
SCHEMBL4255324 0.78 CYP2D6 (0.54) LMNACES2CES1CYP2D6TDP1
SCHEMBL4255321 0.78 CYP2D6 (0.54) LMNACES2CES1CYP2D6TDP1
SCHEMBL27484428 0.78 LMNA (0.58) LMNACES2CES1CYP2D6TDP1

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
US-20020087013-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-07-04 US claimed
US-20020010348-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2002-01-24 US claimed
US-6232477-B1 SILYLATING A BACCATIN; ACETYLATION; DEBLOCKING AVENTIS PHARMA S.A. (FR) 2001-05-15 US claimed
US-20020087013-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-07-04 US disclosed
US-20020010348-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2002-01-24 US disclosed
US-6232477-B1 SILYLATING A BACCATIN; ACETYLATION; DEBLOCKING AVENTIS PHARMA S.A. (FR) 2001-05-15 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 (2 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-20020010348-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them TOP1, TMSB4X, TUBB1 LMNA 296/4885CES2 1791/4885CES1 1195/4885
US-20020087013-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them TOP1, TMSB4X, TUBB1 LMNA 296/4885CES2 1791/4885CES1 1195/4885

“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.