SCHEMBL3084029

SCHEMBL3084029

CC(C)c1ccc(Cc2[c][nH]c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR6 P50406 1/20 0.35
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STING1 Q86WV6 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CFTR P13569 1/20 0.33
MLKL Q8NB16 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
SCHEMBL3096966 0.83 KIF11 (0.44) KIF11HTR6STING1MEN1KMT2A
SCHEMBL3090776 0.79 LTA4H (0.50) ALDH1A1MEN1KMT2AMAPT
SCHEMBL640081 0.71 KIF11 (0.39) KIF11ALDH1A1MEN1KMT2AMAPT
SCHEMBL3084033 0.71 HTR6 (0.69) HTR1DHTR1BHTR6ALDH1A1L3MBTL1
SCHEMBL27751254 0.70 L3MBTL1 (0.37) KIF11HTR1DHTR1BIDO1ALDH1A1
SCHEMBL3091034 0.70 TNKS (0.38) KIF11HTR1DHTR1BIDO1ALDH1A1
SCHEMBL3073685 0.69 MAPT (0.36) HTR1DHTR1BHTR6IDO1ALDH1A1
SCHEMBL4841473 0.68 CALM1 (0.57) HTR1DHTR1BIDO1ALDH1A1L3MBTL1
SCHEMBL6470274 0.68 CHRNB2 (0.41) KIF11IDO1ALDH1A1MEN1KMT2A
SCHEMBL3956146 0.68 IDO1 (0.56) HTR1DHTR1BIDO1ALDH1A1L3MBTL1

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 KIF11 3252/4885HTR1D 3370/4885HTR1B 4065/4885

“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.