SCHEMBL6355835

SCHEMBL6355835

CCOc1cc(OCC)c(CCc2nnnn2Cc2ccccc2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 5/20 0.45
KDM4E B2RXH2 3/20 0.45
NR2E3 Q9Y5X4 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.40
DAGLA Q9Y4D2 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6355368 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL6356259 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL6359711 0.80 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL4407027 0.74 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL156417 0.74 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL4411061 0.72 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ALMNADAGLA
SCHEMBL4407461 0.71 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNADAGLA
SCHEMBL6355837 0.70 TSHR (0.41) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL4407098 0.70 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL96819 0.68 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATSHRLMNA

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 1194/4885MEN1 3860/4885KMT2A 1711/4885

“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.