SCHEMBL3088019

SCHEMBL3088019

CC(C)c1ccc(Cn2[c]cc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 1/20 0.35
RORC P51449 1/20 0.35
EGFR P00533 1/20 0.35
MET P08581 1/20 0.35
PIK3CD O00329 1/20 0.35
MIF P14174 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGES O14684 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
SCHEMBL3086229 0.83 CYP1A2 (0.39) TP53HTR6NPC1RAB9APOLB
SCHEMBL3079067 0.83 P2RX4 (0.44) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1201646 0.82 RECQL (0.44) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29136188 0.80 RAB9A (0.42) MAPTSMN1; SMN2RAB9APOLBALDH1A1
SCHEMBL3079977 0.79 DRD2 (0.41) MAPTSMN1; SMN2POLBALDH1A1MEN1
SCHEMBL3091129 0.79 P2RX4 (0.48) TP53MAPTGAASMN1; SMN2NPC1
SCHEMBL15271285 0.75 RECQL (0.35) HTR6MEN1KMT2A
SCHEMBL5497336 0.71 CYP1A2 (0.35) TP53MAPTSMN1; SMN2NPC1POLB
SCHEMBL6754260 0.70 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL29136204 0.70 HTT (0.45) SMN1; SMN2NPC1RAB9APOLBALDH1A1

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 3463/4885TP53 4276/4885MAPT 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.