SCHEMBL3023944

SCHEMBL3023944

CC(C)(C)C(C(=O)O)(C(=O)Oc1ccc([N+](=O)[O-])c(Oc2cccc3ccccc23)c1F)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HSPB1 P04792 1/20 0.38
ALOX5 P09917 2/20 0.38
PTGES O14684 2/20 0.38
MAPT P10636 7/20 0.36
HTT P42858 5/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 1/20 0.36
NCEH1 Q6PIU2 1/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESRRA P11474 1/20 0.34
PGR P06401 1/20 0.33
PTGS1 P23219 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
SCHEMBL3036533 0.86 MEN1 (0.41) ALDH1A1HSPB1MAPTHTTLMNA
SCHEMBL3027901 0.76 PIN1 (0.50) PIN1ALDH1A1KDM4EHSD17B10HSPB1
SCHEMBL3035330 0.75 ALDH1A1 (0.51) PIN1ALDH1A1KDM4EHSPB1ALOX5
SCHEMBL3033563 0.74 TDP1 (0.44) PIN1ALDH1A1KDM4EHSPB1ALOX5
SCHEMBL13560498 0.74 EPAS1 (0.35) ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3023941 0.74 PIN1 (0.41) PIN1ALDH1A1KDM4EHSD17B10HSPB1
SCHEMBL3031365 0.73 EPAS1 (0.37) MEN1KMT2A
SCHEMBL10422427 0.71 ALDH1A1 (0.68) PIN1ALDH1A1KDM4EHSPB1ALOX5
SCHEMBL28151906 0.70 ALDH1A1 (0.48) PIN1ALDH1A1KDM4EALOX5PTGES
SCHEMBL3023947 0.69 ALDH1A1 (0.40) PIN1ALDH1A1KDM4EHSD17B10ALOX5

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 PIN1 366/4885ALDH1A1 348/4885KDM4E 1070/4885

“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.