SCHEMBL7254705

SCHEMBL7254705

CCOC(=O)CCc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.74
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KMT2A Q03164 2/20 0.42
LTA4H P09960 1/20 0.42
ALOX5 P09917 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
CDK8 P49336 1/20 0.41

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
SCHEMBL491276 0.86 CYP4F2 (0.59) DRD2CYP4F2CYP4A11CA12CA1
SCHEMBL6049298 0.85 DRD2 (0.57) DRD2APPKMT2ALTA4HALOX5
SCHEMBL6049316 0.85 DRD2 (0.61) DRD2CA12CA1CA2CA9
SCHEMBL8520391 0.85 DRD2 (0.57) DRD2KMT2AALOX5
SCHEMBL6049242 0.83 DRD2 (0.57) DRD2CA12CA1CA2CA9
SCHEMBL3125590 0.83 DRD2 (0.64) DRD2CA12CA1CA2CA9
SCHEMBL3685994 0.82 DRD2 (0.55) DRD2CYP4F2CYP4A11KMT2AALOX5
SCHEMBL5685284 0.82 CALM1 (0.57) DRD2CYP4F2CYP4A11CA12CA1
SCHEMBL3126397 0.81 DRD2 (0.62) DRD2CA12CA1CA2CA9
SCHEMBL3119217 0.81 DRD2 (0.62) DRD2CA12CA1CA2CA9

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
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D DRD2 4884/4885CYP4F2 1711/4885CYP4A11 2320/4885

“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.