SCHEMBL7201864

SCHEMBL7201864

COC(CCC(=O)O)(CCC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.50
SRC P12931 1/20 0.46
NR4A2 P43354 1/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 2/20 0.40
ESR1 P03372 1/20 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
SCHEMBL7197622 0.80 CES1 (0.47) CES1SRCTSHRALDH1A1LMNA
SCHEMBL135045 0.79 CES1 (0.54) CES1SRCNR4A2TSHRALDH1A1
SCHEMBL27863476 0.79 CES1 (0.46) CES1SRCGAALMNACES2
SCHEMBL11289136 0.79 CES1 (0.53) CES1SRCTSHRALDH1A1LMNA
Methoxymethane SCHEMBL5530887 0.77 CES1 (0.51) CES1SRCNR4A2TSHRALDH1A1
SCHEMBL28289195 0.77 SMN1; SMN2 (0.43) ALDH1A1CYP2C19HDAC3HDAC4HDAC1
SCHEMBL11616478 0.76 NR4A2 (0.52) CES1SRCNR4A2TSHRALDH1A1
SCHEMBL7198657 0.74 NR4A2 (0.50) CES1SRCNR4A2TSHRALDH1A1
SCHEMBL7200997 0.73 PLA2G2D (0.38) NR4A2ALDH1A1GAACYP2C19POLB
SCHEMBL28079483 0.72 CES1 (0.59) CES1SRCTSHRALDH1A1LMNA

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 2698/4885SRC 2788/4885NR4A2 4220/4885

“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.