SCHEMBL2030385

SCHEMBL2030385

[CH2]c1cccc(-c2ccc(F)cc2)c1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
DHFR P00374 1/20 0.42
ENPP1 P22413 2/20 0.41
GPR84 Q9NQS5 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
NR4A2 P43354 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ENPP3 O14638 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 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
SCHEMBL18805039 0.82 CA12 (0.53) CYP17A1MAPK13GCGRMAPK12MAPK11
SCHEMBL8074741 0.82 CA12 (0.53) CYP17A1MAPK13GCGRMAPK12MAPK11
SCHEMBL21342262 0.81 CYP17A1 (0.46) CYP17A1MAPK13GCGRMAPK12MAPK11
SCHEMBL2491515 0.81 DHFR (0.46) DHFRGPR84CYP1A2KDM4ECYP3A4
SCHEMBL26750929 0.81 CA12 (0.51) CYP17A1MAPK13GCGRMAPK12MAPK11
SCHEMBL2029460 0.80 ABL1 (0.45) DHFRENPP1GPR84HDAC8CYP1A2
SCHEMBL3713792 0.80 DHFR (0.41) DHFRCYP1A2ADORA2AKDM4ETYMP
SCHEMBL22978408 0.80 CYP1A2 (0.46) CYP17A1MAPK13GCGRMAPK12MAPK11
SCHEMBL15306298 0.80 ENPP1 (0.49) CYP17A1MAPK13GCGRMAPK12MAPK11
SCHEMBL29892304 0.79 CYP17A1 (0.49) CYP17A1MAPK13GCGRMAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541569-B2 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) 2013-09-24 US claimed
EP-2560982-A2 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION Chemgenes Corporation (US) 2013-02-27 EP claimed
WO-2011103468-A2 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION CHEMGENES CORPORATION (US) 2011-08-25 WO claimed
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 claimed
US-8541569-B2 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) 2013-09-24 US disclosed
EP-2560982-A2 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION Chemgenes Corporation (US) 2013-02-27 EP disclosed
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
WO-2011103468-A2 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION CHEMGENES CORPORATION (US) 2011-08-25 WO 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 CYP17A1 4456/4885MAPK13 2514/4885GCGR 2045/4885
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 CYP17A1 4839/4885MAPK13 2229/4885GCGR 4338/4885

“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.