SCHEMBL3036533

SCHEMBL3036533

CC(C)(C)C(C(=O)O)(C(=O)Oc1ccc([N+](=O)[O-])c(Oc2ccccc2)c1F)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TTR P02766 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
HPSE Q9Y251 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
HTR6 P50406 1/20 0.36
NPSR1 Q6W5P4 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
HSPB1 P04792 2/20 0.34

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
SCHEMBL3023944 0.86 PIN1 (0.40) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3033249 0.83 EPAS1 (0.38) MEN1KMT2ATTRTDP1LMNA
SCHEMBL13560498 0.83 EPAS1 (0.35) ALDH1A1NPSR1SMN1; SMN2HPGDLMNA
SCHEMBL3031365 0.81 EPAS1 (0.37) MEN1KMT2ATTRTDP1PPOX
SCHEMBL3032786 0.72 MEN1 (0.43) MEN1KMT2ATTRTDP1ALB
SCHEMBL3016187 0.72 ALDH1A1 (0.49) TDP1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL3032884 0.71 TDP1 (0.46) MEN1KMT2ATTRTDP1ALB
SCHEMBL10884753 0.70 TDP1 (0.55) MEN1KMT2ATTRTDP1ALB
SCHEMBL3036532 0.70 ALDH1A1 (0.41) MEN1KMT2ATTRTDP1ALB
SCHEMBL8022111 0.69 ELANE (0.51) TDP1HPGDMAPTL3MBTL1

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 MEN1 3585/4885KMT2A 751/4885TTR 3522/4885

“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.