SCHEMBL6399402

SCHEMBL6399402

C=CCN1CCCc2c[c]ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM2 P08172 6/20 0.32
CHRM3 P20309 6/20 0.32
CHRM1 P11229 5/20 0.32
CHRM4 P08173 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL6402706 0.88 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9829903 0.80 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL30678342 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL4631036 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2090062 0.77 MEN1 (0.60) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL696615 0.75 HDAC1 (0.49) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL28477103 0.75 MEN1 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL27192643 0.75 MEN1 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL5802034 0.74 TSHR (0.47) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL3357713 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTKDM4E

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
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US claimed
US-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR ALDH1A1 682/4885KMT2A 877/4885MEN1 2077/4885

“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.