SCHEMBL3968008

SCHEMBL3968008

O=C1CCc2c1ccc(OCc1ccccc1)c2-c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
MAOA P21397 4/20 0.44
GRM5 P41594 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 2/20 0.43
GSTP1 P09211 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 1/20 0.39
BRD4 O60885 1/20 0.38
TOP1 P11387 1/20 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
SCHEMBL3968839 0.78 MAOB (0.48) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL3964341 0.77 GSTP1 (0.36) ALDH1A1HPGDGSTP1
SCHEMBL3969775 0.75 TAAR1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22163922 0.75 MRGPRX4 (0.46) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL3964467 0.75 MAPK14 (0.47) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL6301925 0.75 ALDH1A1 (0.51) RAB9ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL28350107 0.74 MRGPRX4 (0.58) MAOBGRM5RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3629080 0.73 MRGPRX4 (0.62) MAOBMAOASMN1; SMN2ALDH1A1MRGPRX4
SCHEMBL22183655 0.73 ALDH1A1 (0.64) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL3966163 0.72 GSTP1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MAOB 880/4885MAOA 955/4885GRM5 977/4885

“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.