SCHEMBL5769437

SCHEMBL5769437

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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35

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
SCHEMBL5769430 0.91 PRKAB2 (0.35) MAPTKMT2ATP53PRKAB2PRKAG1
SCHEMBL5768912 0.84 ALDH2 (0.42) ALDH2MAOAMAOBMAPTKMT2A
SCHEMBL5946221 0.83 SLC6A3 (0.47) ERN1
SCHEMBL5769291 0.81 MAPT (0.41) MAPTKMT2ATP53MEN1NPC1
SCHEMBL5768908 0.74 ACACB (0.36) ALDH2MAOAMAOBMAPTKMT2A
SCHEMBL5946211 0.74 SLC6A3 (0.47) HPGDALDH1A1
SCHEMBL5769288 0.72 MAPT (0.41) MAOBMAPTKMT2AHPGDGLA
SCHEMBL5768982 0.72 ALDH2 (0.42) ALDH2MAOAMAOBMAPTKMT2A
SCHEMBL5946174 0.71 CA12 (0.44) LMNAALDH1A1CA12CA1CA2
SCHEMBL13595362 0.69 ESRRA (0.45) MAPTKMT2ATP53MEN1NPC1

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 ALDH2 4855/4885MAOA 4449/4885MAOB 4248/4885

“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.