SCHEMBL3073048

SCHEMBL3073048

Cc1ccc(Cn2c(C)[c]c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.51
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
HCRTR2 O43614 4/20 0.43
RECQL P46063 1/20 0.43
MAPK10 P53779 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL10399302 0.90 CYP19A1 (0.48) P2RX4ALDH1A1TP53MEN1KMT2A
SCHEMBL3093503 0.89 P2RX4 (0.40) P2RX4ALDH1A1TP53MEN1KMT2A
SCHEMBL3088034 0.85 P2RX4 (0.50) P2RX4ALDH1A1TP53MEN1KMT2A
SCHEMBL3088631 0.84 P2RX4 (0.54) P2RX4ALDH1A1TP53MEN1KMT2A
SCHEMBL3084394 0.84 DRD2 (0.43) P2RX4ALDH1A1MEN1KMT2ALMNA
SCHEMBL3083770 0.84 TP53 (0.45) P2RX4TP53SMN1; SMN2MAPTHCRTR2
SCHEMBL323754 0.77 ALDH1A1 (0.41) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL2984755 0.75 HCRTR2 (0.37) P2RX4ALDH1A1MEN1KMT2ALMNA
SCHEMBL15062502 0.73 LMNA (0.49) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL30616068 0.73 P2RX4 (0.80) P2RX4ALDH1A1TP53RECQLMAPK10

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 P2RX4 1442/4885ALDH1A1 1026/4885TP53 4276/4885

“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.