SCHEMBL4067755

SCHEMBL4067755

CC(C)(C)[Si](C)(C)OCCCn1ccnc1CNCc1ccc(CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.43
TBXAS1 P24557 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PPARG P37231 1/20 0.32
NR1H2 P55055 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NR1H3 Q13133 1/20 0.32
FPR2 P25090 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4067312 0.78 DUT (0.33) DUT
SCHEMBL4067316 0.78 DUT (0.37) DUTTBXAS1
SCHEMBL1627522 0.71 ALDH1A1 (0.54) DUTNR1H2PPARANR1H3ALDH1A1
SCHEMBL16607362 0.71 SMN1; SMN2 (0.39) DUTHDAC6SMN1; SMN2
SCHEMBL28391440 0.70 DUT (0.47) DUTKMT2AKDM4EALDH1A1HTT
SCHEMBL4066536 0.69 DUT (0.52) DUTKMT2AALDH1A1
SCHEMBL3412308 0.67 ALDH1A1 (0.49) DUTNR1H2PPARANR1H3ALDH1A1
SCHEMBL16125131 0.67 DUT (0.40) DUTMEN1KMT2AALDH1A1HTT
SCHEMBL14901207 0.67 DUT (0.40) DUTHTT
SCHEMBL5029906 0.67 CA2 (0.48) EPHX2NR1H4KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 DUT 4295/4885TBXAS1 1114/4885MEN1 2211/4885

“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.