SCHEMBL6355837

SCHEMBL6355837

CCOc1ccc(CC(OCC)c2nnnn2Cc2ccccc2)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.41
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SLC1A3 P43003 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
SCHEMBL6355369 0.90 HTT (0.43) TSHRKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL6356262 0.84 TSHR (0.47) TSHRKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL6359716 0.74 SLC1A3 (0.51) TSHRKDM4ELMNAALDH1A1MEN1
SCHEMBL6355835 0.70 ALDH1A1 (0.46) TSHRKDM4ELMNAALDH1A1HSD17B10
SCHEMBL4408776 0.66 ALDH1A1 (0.60) TSHRKDM4EHRH3LMNAALDH1A1
SCHEMBL10969069 0.65 ALDH1A1 (0.59) TSHRKDM4EHRH3LMNAALDH1A1
SCHEMBL8582391 0.64 TSHR (0.48) TSHRKDM4ESMN1; SMN2HRH3LMNA
SCHEMBL5592736 0.63 ALDH1A1 (0.49) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL6355368 0.63 ALDH1A1 (0.46) TSHRKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL18387989 0.63 ALDH1A1 (0.57) TSHRKDM4EHRH3LMNAALDH1A1

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 TSHR 755/4885KDM4E 3232/4885SMN1; SMN2 972/4885

“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.