SCHEMBL889518

SCHEMBL889518

CC(C)(C)C(=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
CYP2C19 P33261 3/20 0.44
KIF11 P52732 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 2/20 0.41
KCNN4 O15554 1/20 0.40
MEN1 O00255 2/20 0.40
VDR P11473 1/20 0.40
ALOX15 P16050 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL9548452 0.81 KIF11 (0.47) CYP2C19KIF11HIF1AALDH1A1ELANE
SCHEMBL40498 0.80 KIF11 (0.50) CYP2C19KIF11HIF1AALDH1A1HTT
SCHEMBL17965751 0.79 KIF11 (0.48) CYP2C19KIF11HIF1AALDH1A1ELANE
SCHEMBL2822033 0.78 KCNN4 (0.48) CYP2C19KIF11HIF1AALDH1A1SMN1; SMN2
SCHEMBL10412017 0.78 HSD11B1 (0.44) HSD11B1CYP2C19KIF11HIF1AELANE
SCHEMBL7054160 0.77 KIF11 (0.47) CYP2C19KIF11HIF1AALDH1A1ELANE
SCHEMBL28446874 0.77 KIF11 (0.52) CYP2C19KIF11HIF1AALDH1A1HTT
SCHEMBL7055637 0.77 KIF11 (0.47) CYP2C19KIF11HIF1AALDH1A1ELANE
SCHEMBL17237864 0.77 KIF11 (0.47) HSD11B1CYP2C19KIF11HIF1AALDH1A1
SCHEMBL7057598 0.77 KIF11 (0.47) CYP2C19KIF11HIF1AALDH1A1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010281-A1 ANTIMICROBIAL AND ANTITUBERCULAR COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-01-12 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-20120010281-A1 ANTIMICROBIAL AND ANTITUBERCULAR COMPOUNDS TBK1, TBCD, TBKBP1 HSD11B1 2820/4885CYP2C19 3918/4885KIF11 4022/4885

“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.