SCHEMBL4654972

SCHEMBL4654972

CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.45
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 4/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 2/20 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
SCHEMBL3342299 0.83 MEN1 (0.39) CYP2C19SMN1; SMN2EGFR
SCHEMBL17299381 0.81 LTA4H (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4558309 0.79 ALDH1A1 (0.41) NOX1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL4558030 0.78 POLB (0.51) NOX1SMN1; SMN2NPC1MAOBRAB9A
SCHEMBL4652904 0.78 BACE1 (0.36) LMNASLC6A2SLC6A3GAA
SCHEMBL15809710 0.77 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5522119 0.76 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15809694 0.76 LTA4H (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4465723 0.75 ALDH1A1 (0.43) L3MBTL1
SCHEMBL7717528 0.75 DUT (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355876-B1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS CANCER RES INST ROYAL (GB) 2008-11-05 EP disclosed
US-6916949-B2 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-07-12 US disclosed
US-20040087813-A1 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2004-05-06 US disclosed
EP-1355876-A1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS Cancer Research Technology Limited (GB) 2003-10-29 EP disclosed
WO-2002060862-A1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-08 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-20040087813-A1 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs GGH, GLUL, GSS NOX1 616/4885LMNA 1533/4885CYP1A2 792/4885

“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.