SCHEMBL5268822

SCHEMBL5268822

Cc1c(O)cc2c(c1C)OC(C)(C)CC2=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.59
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 8/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 6/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 4/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP7 P55210 1/20 0.37
MAOB P27338 2/20 0.36
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PDPK1 O15530 1/20 0.34
PHLPP1 O60346 1/20 0.34
ILK Q13418 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL30251078 0.81 ALDH1A1 (0.53) AKT1ALDH1A1KDM4EMAPTGAA
SCHEMBL1983678 0.81 ALDH1A1 (0.53) AKT1ALDH1A1KDM4EMAPTGAA
SCHEMBL13646651 0.79 ALDH1A1 (0.58) AKT1ALDH1A1KDM4EMAPTGAA
SCHEMBL14283919 0.76 AKT1 (0.46) AKT1ALDH1A1KDM4EMAPTPDPK1
SCHEMBL9303654 0.75 AKT1 (0.65) AKT1PDPK1PHLPP1ILK
SCHEMBL15441596 0.75 AKT1 (1.00) AKT1MAPTPDPK1PHLPP1ILK
SCHEMBL10403858 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTGAAHPGD
Cyclolanceaefolic Acid SCHEMBL27831084 0.74 MAPT (0.49) AKT1ALDH1A1KDM4EMAPTGAA
SCHEMBL10402573 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL30836817 0.72 ALDH1A1 (0.47) AKT1ALDH1A1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856040-A2 NOVEL LIPOXYGENASE INHIBITORS Eli Lilly and Company (US) 2007-11-21 EP disclosed
WO-2006093547-A2 NOVEL LIPOXYGENASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-09-08 WO disclosed
US-20060193797-A1 Chroman derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC 2006-08-31 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-20060193797-A1 Chroman derivatives as lipoxygenase inhibitors NR0B1, ALOX5, ALOX15B AKT1 2143/4885ALDH1A1 757/4885KDM4E 2240/4885

“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.