SCHEMBL6355368

SCHEMBL6355368

CCOc1cc(OCC)c(CCc2nnnn2CCc2ccccc2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TP53 P04637 2/20 0.40
MDM2 Q00987 2/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL6355835 0.90 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL6359711 0.90 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6356259 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL2056167 0.76 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL6355369 0.72 HTT (0.43) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL2090533 0.71 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL2094431 0.70 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2094429 0.68 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL3015966 0.68 SLC6A2 (0.48) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL23558675 0.67 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 ALDH1A1 1194/4885NPC1 719/4885RAB9A 2578/4885

“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.