SCHEMBL3785829

SCHEMBL3785829

CCN(CC)c1ccc2cc1-2.OBO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.39
RARB P10826 9/20 0.39
RARG P13631 9/20 0.39
PGR P06401 7/20 0.37
ALDH1A3 P47895 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
HCAR3 P49019 1/20 0.35
NR3C1 P04150 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 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
SCHEMBL16559084 0.77 PGR (0.49) RARARARBRARGPGRHTT
SCHEMBL3781710 0.77 GAA (0.34) PGRTP53HCAR3ALDH1A1
SCHEMBL3783532 0.71 KMT2A (0.34) RARARARBRARGPGRALDH1A1
SCHEMBL2590921 0.71 KDM4E (0.33) ALDH1A1CYP3A4
SCHEMBL5214499 0.69 RXRA (0.39) RARARARBRARGALDH1A1CYP3A4
SCHEMBL11503523 0.68 RARA (0.46) RARARARBRARGPGRALDH1A3
SCHEMBL12288724 0.68 PGR (0.48) PGRNR3C1ARALDH1A1
SCHEMBL3785141 0.67 MEN1 (0.32) RARARARBRARGCYP3A4
SCHEMBL3787932 0.67 SLC6A2 (0.33)
SCHEMBL12850053 0.67 PGR (0.47) PGRTP53HTTNR3C1AR

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 RARA 3419/4885RARB 2908/4885RARG 3983/4885

“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.