SCHEMBL3084692

SCHEMBL3084692

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MIF P14174 1/20 0.40
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
TNF P01375 1/20 0.36
CXCL8 P10145 1/20 0.36
SOS1 Q07889 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3083770 0.87 TP53 (0.45) ALOX5APTP53MAPTGAASMN1; SMN2
SCHEMBL3088034 0.84 P2RX4 (0.50) TP53MAPTGAASMN1; SMN2GALR3
SCHEMBL15062740 0.84 TNF (0.50) MAPTSMN1; SMN2DRD2TBXA2RTNF
SCHEMBL3085744 0.81 DRD2 (0.46) SMN1; SMN2DRD2TNFCXCL8SOS1
SCHEMBL3097341 0.81 P2RX4 (0.54) TP53MAPTGAASMN1; SMN2RAB9A
SCHEMBL3088022 0.73 ALOX5AP (0.40) ALOX5APTP53MAPTGAASMN1; SMN2
SCHEMBL3073048 0.70 P2RX4 (0.51) TP53MAPTGAASMN1; SMN2HCRTR2
SCHEMBL13332075 0.70 ALOX5AP (0.64) ALOX5APTP53MAPTGAASMN1; SMN2
SCHEMBL10399302 0.69 CYP19A1 (0.48) TP53MAPTSMN1; SMN2TNFALDH1A1
SCHEMBL3093503 0.69 P2RX4 (0.40) TP53MAPTGAASMN1; SMN2TNF

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.