SCHEMBL9947034

SCHEMBL9947034

CCC(=O)c1ccccc1COC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 3/20 0.41
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL15413067 0.84 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL15267352 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL13324472 0.82 TSHR (0.42) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL38654957 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL2652361 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL5255523 0.81 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTLMNAKDM4E
SCHEMBL18121461 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL28343391 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL6930273 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL28724165 0.81 HSP90AB1 (0.41) ALDH1A1L3MBTL1MAPTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149888-A1 SYNTHESIS OF ARA-2'-O-METHYL-NUCLEOSIDES, CORRESPONDING PHOSPHORAMIDITES AND OLIGONUCLEOTIDES INCORPORATING NOVEL MODIFICATIONS FOR BIOLOGICAL APPLICATION IN THERAPEUCTICS, DIAGNOSTICS, G- TETRAD FORMING OLIGONUCLEOTIDES AND APTAMERS CHEMGENES CORPORATION 2012-06-14 US disclosed
US-20110137010-A1 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION, EFFICIENT RNA SYNTHESIS AND CONVENIENT INTRODUCTION OF 3'-END LIGANDS, CHROMOPHORES AND MODIFICATIONS OF SYNTHETIC RNA CHEMGENES CORPORATION (US) 2011-06-09 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-20120149888-A1 SYNTHESIS OF ARA-2'-O-METHYL-NUCLEOSIDES, CORRESPONDING PHOSPHORAMIDITES AND OLIGONUCLEOTIDES INCORPORATING NOVEL MODIFICATIONS FOR BIOLOGICAL APPLICATION IN THERAPEUCTICS, DIAGNOSTICS, G- TETRAD FORMING OLIGONUCLEOTIDES AND APTAMERS TYMP, MTAP, GART ALDH1A1 3050/4885L3MBTL1 646/4885MAPT 1619/4885
US-20110137010-A1 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION, EFFICIENT RNA SYNTHESIS AND CONVENIENT INTRODUCTION OF 3'-END LIGANDS, CHROMOPHORES AND MODIFICATIONS OF SYNTHETIC RNA NSUN3, RNGTT, NOP2 ALDH1A1 4050/4885L3MBTL1 203/4885MAPT 4158/4885

“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.