SCHEMBL3085397

SCHEMBL3085397

CCc1ccc(Cc2c(C)n(C)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 5/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 4/20 0.41
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
NQO2 P16083 1/20 0.40
NPEPPS P55786 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL4223544 0.88 KDM4E (0.56) GPR3KDM4EALDH1A1HPGDPOLB
SCHEMBL31558739 0.83 ALDH1A1 (0.46) GPR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1925036 0.83 GPR3 (0.58) GPR3KDM4EALDH1A1HPGDMEN1
SCHEMBL3091850 0.83 KDM4E (0.44) GPR3KDM4EALDH1A1HPGDPOLB
SCHEMBL19538924 0.78 GPR3 (0.56) GPR3KDM4EALDH1A1HPGDMEN1
SCHEMBL3085395 0.76 KDM4E (0.31) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL1094001 0.75 GPR3 (0.52) GPR3KDM4EALDH1A1HPGDPOLB
SCHEMBL15705719 0.74 GPR3 (0.56) GPR3KDM4EALDH1A1HPGDMEN1
SCHEMBL3969842 0.74 GPR3 (0.56) GPR3KDM4EALDH1A1HPGDMEN1
SCHEMBL2604391 0.73 GPR3 (0.59) GPR3KDM4EALDH1A1HPGDPOLB

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 GPR3 1761/4885KDM4E 2711/4885ALDH1A1 1026/4885

“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.