SCHEMBL3790025

SCHEMBL3790025

OB(O)c1cc(C2CCC2)cc(C2CCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.35
HDAC8 Q9BY41 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HIF1A Q16665 1/20 0.33
ESR1 P03372 5/20 0.32
ACMSD Q8TDX5 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMO O15229 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL3790896 0.95 HDAC8 (0.37) ESR2HDAC8HDAC4HDAC2HIF1A
SCHEMBL3789096 0.93 KMO (0.39) HDAC8HDAC4HDAC2HIF1AACMSD
SCHEMBL3787015 0.90 ESR2 (0.33) ESR2ESR1CYP3A4CYP2C9
SCHEMBL3791248 0.88 KDM4E (0.38) ESR2
SCHEMBL3784270 0.84 ALDH1A1 (0.38) HDAC8HDAC4HDAC2HIF1AACMSD
SCHEMBL3789503 0.82 ALDH1A1 (0.37) HDAC8HDAC4HDAC2HIF1AACMSD
SCHEMBL3786808 0.81 HDAC4 (0.47) HDAC8HDAC4HDAC2KMO
SCHEMBL3787388 0.79 ESR2 (0.47) ESR2HDAC8HIF1AESR1CYP3A4
SCHEMBL3780940 0.79 KDM4E (0.41)
SCHEMBL3783525 0.77 HDAC4 (0.51) HDAC8HDAC4HDAC2ACMSDKMO

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 ESR2 2747/4885HDAC8 1421/4885HDAC4 3220/4885

“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.