SCHEMBL5655892

SCHEMBL5655892

COC(=O)c1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.64
MAPT P10636 8/20 0.54
ALDH1A1 P00352 7/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 1/20 0.54
APAF1 O14727 1/20 0.54
TDP2 O95551 1/20 0.54
NSD2 O96028 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL13681277 0.85 MAPT (0.51) GSK3BMAPTALDH1A1NPC1RAB9A
SCHEMBL18885210 0.83 MAPT (0.71) GSK3BMAPTALDH1A1NPC1RAB9A
SCHEMBL702364 0.81 MAPT (0.51) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL14363093 0.81 ALDH1A1 (0.58) GSK3BMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13680465 0.80 GSK3B (0.61) GSK3BMAPTALDH1A1NPC1RAB9A
SCHEMBL13680452 0.80 GSK3B (0.61) GSK3BMAPTALDH1A1NPC1KDM4E
SCHEMBL23091176 0.80 MAPT (0.62) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL13680504 0.79 PLK1 (0.50) GSK3BMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4399339 0.79 KDM4E (0.72) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL13680503 0.79 GSK3B (0.62) GSK3BALDH1A1NPC1RAB9AKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
WO-2007103456-A2 PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES TRIMERIS, INC. (US) 2007-09-13 WO 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-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 GSK3B 1122/4885MAPT 1269/4885ALDH1A1 416/4885

“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.