SCHEMBL7197671

SCHEMBL7197671

O=C(c1ccccc1)C(O)(CCCO)CCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.45
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRC P12931 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
PTPN1 P18031 2/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL6932937 0.83 GAA (0.50) CES1TDP1MAPK1MAPTCYP3A4
SCHEMBL12064047 0.81 GAA (0.56) CES1TDP1MAPTKMT2ASRC
SCHEMBL29064653 0.81 CES1 (0.43) CES1TDP1MAPK1MAPTCYP3A4
SCHEMBL11284817 0.79 CES1 (0.52) CES1TDP1MAPK1MAPTCYP3A4
SCHEMBL9821868 0.79 GAA (0.47) CES1TDP1MAPK1MAPTCYP3A4
SCHEMBL7199995 0.79 SRC (0.49) CES1TDP1MAPK1HPGDKDM4E
SCHEMBL10458191 0.78 GAA (0.53) CES1TDP1MAPK1MAPTCYP3A4
SCHEMBL7198657 0.78 NR4A2 (0.50) CES1TDP1MAPK1MAPTCYP3A4
SCHEMBL28979349 0.78 CES1 (0.52) CES1TDP1MAPK1MAPTCYP3A4
SCHEMBL10943699 0.78 ALDH1A1 (0.50) CES1TDP1MAPTHPGDKMT2A

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
US-6610663-B2 Antisense compound with targeting and RNA cleaving moieties, preferably an imidazole functionality conjugated to the targeting oligonucleotide via linkers ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-20020160972-A1 Compositions and methods for modulating RNA ISIS PHARMACEUTICALS, INC. 2002-10-31 US disclosed
US-6358931-B1 OLIGONUCLETIDE CONJUGATED TO IMIDAZOLE; INTERCALATION AND COORDINATION COMPOUNDS; MEDICAL DIAGNOSIS, GENE THERAPY; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2002-03-19 US disclosed
EP-0656790-A1 COMPOSITIONS AND METHODS FOR MODULATING RNA ISIS PHARMACEUTICALS, INC. (US) 1995-06-14 EP disclosed
WO-1993017717-A1 COMPOSITIONS AND METHODS FOR MODULATING RNA ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 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-20020160972-A1 Compositions and methods for modulating RNA RNGTT, NSUN3, NSUN2 CES1 2698/4885TDP1 351/4885MAPK1 4773/4885

“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.