SCHEMBL5769430

SCHEMBL5769430

COC(=O)c1c(-c2ccc([O])cc2)c(-c2ccc(OC(C)C)cc2)cn1[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
ACACB O00763 3/20 0.34
ACACA Q13085 3/20 0.34
MCL1 Q07820 4/20 0.34
BCL2 P10415 2/20 0.34
MDM2 Q00987 2/20 0.34
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL5769437 0.91 ALDH2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5768908 0.84 ACACB (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5946211 0.83 SLC6A3 (0.47) ALDH1A1KDM4ECYP1A2
SCHEMBL5769288 0.81 MAPT (0.41) MAPTGLAKMT2AALDH1A1MAPK1
SCHEMBL5768912 0.74 ALDH2 (0.42) ACACBACACAMCL1BCL2MDM2
SCHEMBL5946221 0.74 SLC6A3 (0.47) ERN1
SCHEMBL5769291 0.72 MAPT (0.41) MAPTGLAKMT2ALMNATP53
SCHEMBL5768977 0.72 PRMT3 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5770250 0.66 DAPK3 (0.35) MAPTKMT2ATP53ALDH1A1MAPK1
SCHEMBL1805832 0.65 ALDH1A3 (0.58) GLAKMT2ALMNATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 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-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 PRKAB2 4739/4885PRKAG1 4402/4885PRKAA2 4854/4885

“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.