SCHEMBL3088022

SCHEMBL3088022

CC(C)c1ccc(Cn2c[c]c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
PARP1 P09874 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
F2R P25116 1/20 0.38
IDO1 P14902 2/20 0.38
EGFR P00533 1/20 0.37
MET P08581 1/20 0.37
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FAAH O00519 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MIF P14174 1/20 0.35
MCL1 Q07820 1/20 0.34
DRD2 P14416 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
SCHEMBL3086235 0.83 TP53 (0.38) PARP1TP53SMN1; SMN2F2REGFR
SCHEMBL694560 0.82 TNF (0.44) SMN1; SMN2HTR6ALDH1A1CYP11B1CYP11B2
SCHEMBL3849945 0.80 ALDH1A1 (0.46) MAPTTP53SMN1; SMN2ALDH1A1CYP11B1
SCHEMBL17956236 0.78 CNR1 (0.40) MAPTHTR6ALDH1A1CYP11B1CYP11B2
SCHEMBL5138333 0.76 HTR6 (0.45) MAPTSMN1; SMN2GAAIDO1HTR6
SCHEMBL6227403 0.74 L3MBTL1 (0.34) SMN1; SMN2GAAALDH1A1HTT
SCHEMBL5468260 0.73 LOXL2 (0.48) SMN1; SMN2GAAEGFRALDH1A1DRD2
SCHEMBL3084692 0.73 ALOX5AP (0.45) ALOX5APMAPTTP53SMN1; SMN2GAA
SCHEMBL5462459 0.73 DBH (0.42) MAPTTP53GAAALDH1A1MAPK1
SCHEMBL4600343 0.72 DBH (0.37) SMN1; SMN2IDO1ALDH1A1CYP11B1CYP11B2

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
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR ALOX5AP 3463/4885PARP1 3497/4885MAPT 4616/4885

“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.