SCHEMBL3097410

SCHEMBL3097410

COc1ccc(Cc2cccc(CSc3[c]cccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
APP P05067 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3084401 0.87 TP53 (0.36) LTA4HSMN1; SMN2LMNANPC1RAB9A
SCHEMBL3072382 0.85 LMNA (0.35) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL3095270 0.83 SLC6A4 (0.38) LTA4HSMN1; SMN2LMNANPC1RAB9A
SCHEMBL3082324 0.82 TOP2A (0.37) LMNANPC1RAB9ACYP1A2CYP3A4
SCHEMBL10970519 0.77 LTA4H (0.76) LTA4HSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL542478 0.73 LTA4H (0.58) LTA4HSMN1; SMN2LMNANPC1RAB9A
SCHEMBL31298122 0.73 LTA4H (0.63) LTA4HSMN1; SMN2NPC1RAB9ATP53
SCHEMBL4302 0.72 POLB (0.44) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL28387512 0.71 NPC1 (0.46) LTA4HSMN1; SMN2LMNANPC1RAB9A
SCHEMBL14191204 0.70 LTA4H (0.70) LTA4HSMN1; SMN2LMNATP53MAPT

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 LTA4H 2233/4885APP 3198/4885SMN1; SMN2 3852/4885

“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.