SCHEMBL7090155

SCHEMBL7090155

CC(C)(C)c1ccc(OC[C]=O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.61
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MRGPRX4 Q96LA9 6/20 0.38
HRH4 Q9H3N8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL11008861 0.84 MRGPRX4 (0.51) MRGPRX4
SCHEMBL9501757 0.82 MAPK1 (0.41) CYP2C19KDM4ESMN1; SMN2GAARXRA
SCHEMBL12412421 0.80 CYP2C19 (0.64) CYP2C19KDM4ESMN1; SMN2GAARXRA
SCHEMBL2641277 0.78 TDP1 (0.56) SMN1; SMN2GAAMAPTNPSR1MRGPRX4
SCHEMBL4642505 0.76 CYP2C19 (1.00) CYP2C19KDM4ESMN1; SMN2GAARXRA
SCHEMBL15187971 0.75 SMN1; SMN2 (0.59) CYP2C19KDM4ESMN1; SMN2GAARXRA
SCHEMBL14099121 0.75 CYP2C19 (0.59) CYP2C19KDM4ESMN1; SMN2GAARXRA
SCHEMBL11340763 0.75 CYP2C19 (0.63) CYP2C19KDM4ESMN1; SMN2GAARXRA
SCHEMBL799545 0.73 CYP2C19 (0.56) CYP2C19KDM4ESMN1; SMN2GAARXRA
SCHEMBL19728976 0.73 RXRA (0.71) CYP2C19KDM4ESMN1; SMN2GAARXRA

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-6541626-B2 Protecting/blocking the exocyclic amino function of purine nucleosides without effecting hydroxyl groups of sugar moieties via forming activated ester ISIS PHARMACEUTICALS, INC. 2003-04-01 US claimed
US-20030022862-A1 Process for selective N-acylation of purine nucleosides ALLAHABAD, UNIVERSITY OF (IN) 2003-01-30 US claimed
WO-2002083702-A1 PROCESS FOR SELECTIVE N-ACYLATION OF PURINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
US-6541626-B2 Protecting/blocking the exocyclic amino function of purine nucleosides without effecting hydroxyl groups of sugar moieties via forming activated ester ISIS PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-20030022862-A1 Process for selective N-acylation of purine nucleosides ALLAHABAD, UNIVERSITY OF (IN) 2003-01-30 US disclosed
WO-2002083702-A1 PROCESS FOR SELECTIVE N-ACYLATION OF PURINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2002-10-24 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-20030022862-A1 Process for selective N-acylation of purine nucleosides PNP, NUDT1, ADAR CYP2C19 3594/4885KDM4E 2725/4885SMN1; SMN2 1207/4885

“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.