SCHEMBL3785230

SCHEMBL3785230

CCN(CC)c1cc2cc-2c1.OBO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PSMD14 O00487 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38
TERT O14746 1/20 0.38
S100B P04271 1/20 0.36
ALDH3A1 P30838 1/20 0.35
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 2/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL14283536 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL9320695 0.73 ALDH1A1 (0.56) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL9320596 0.73 ALDH1A1 (0.59) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL3789995 0.72 TSHR (0.39) ALDH1A1CYP3A4MAPK1TSHRTDP1
Diethylaniline SCHEMBL3781396 0.71 TSHR (0.59) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL6875549 0.70 ALDH1A1 (0.61) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL20312800 0.67 S100B (0.45) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL11126424 0.67 ALDH1A1 (0.48) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL6150733 0.67 ALDH1A1 (0.47) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR
SCHEMBL11791363 0.67 S100B (0.50) ALDH1A1CYP3A4L3MBTL1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885CYP3A4 177/4885L3MBTL1 3838/4885

“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.