SCHEMBL3793166

SCHEMBL3793166

OB(O)c1ccc(C2CC2)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QDPR P09417 5/20 0.41
ESR2 Q92731 6/20 0.38
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ACMSD Q8TDX5 2/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD2 P14416 2/20 0.32
SLC6A4 P31645 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL3783960 0.92 ACMSD (0.41) QDPRHDAC1HDAC2ACMSDSLC6A4
SCHEMBL3784952 0.92 QDPR (0.39) QDPRESR2HDAC2ACMSDESR1
SCHEMBL3785181 0.91 ACMSD (0.42) QDPRHDAC1HDAC2ACMSDSLC6A4
SCHEMBL3788813 0.84 QDPR (0.41) QDPRESR2HDAC3HDAC1HDAC2
SCHEMBL3788024 0.82 HDAC1 (0.41) QDPRESR2HDAC3HDAC1HDAC2
SCHEMBL3791039 0.82 QDPR (0.33) QDPRESR2HDAC3HDAC1HDAC2
SCHEMBL25409923 0.80 QDPR (0.41) QDPRESR2HDAC3HDAC1HDAC2
SCHEMBL26942106 0.80 QDPR (0.53) QDPRESR2HDAC2ACMSDESR1
SCHEMBL3792629 0.78 HTR1D (0.39) CYP3A4
SCHEMBL21957256 0.78 SLC6A2 (0.41) QDPRESR2DRD2SLC6A4

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 QDPR 339/4885ESR2 2747/4885HDAC3 2675/4885

“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.