SCHEMBL4944816

SCHEMBL4944816

C[Si](C)(C)C#Cc1cc(Br)ccc1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SRC P12931 1/20 0.35
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
KDR P35968 1/20 0.34
GRIK1 P39086 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL27694609 0.79 ALDH1A1 (0.37) MEN1KMT2ACYP1A2HSD17B10PTGDR2
SCHEMBL4941838 0.76 AKR1B1 (0.38) AKR1B1MEN1KMT2ASRCGRIK1
SCHEMBL22229451 0.76 RXRA (0.38) AKR1B1MEN1KMT2ASRCGRIK1
SCHEMBL14834035 0.75 MAPT (0.46) MEN1KMT2ASRCPTGDR2ABCB11
SCHEMBL1679444 0.72 PPARA (0.36) MEN1KMT2ACYP1A2CYP2C9HSD17B10
SCHEMBL28228384 0.72 HSP90AA1 (0.34) MEN1KMT2ACYP1A2CYP2C9HSD17B10
SCHEMBL14906967 0.72 S100A4 (0.34) MEN1KMT2ACYP1A2CYP2C9HSD17B10
SCHEMBL4273878 0.71 GABRP (0.32) ALOX15
SCHEMBL4942619 0.71 PTGDR2 (0.44) AKR1B1MEN1KMT2ASRCGRIK1
SCHEMBL30354629 0.71 RXRA (0.51) AKR1B1MEN1KMT2ASRCAURKA

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-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 AKR1B1 588/4885MEN1 4333/4885KMT2A 2190/4885

“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.