SCHEMBL3788059

SCHEMBL3788059

OB(O)c1scc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BACE1 P56817 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCZ Q05513 1/20 0.35
BCL2L1 Q07817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CA4 P22748 1/20 0.33
CA6 P23280 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
SCHEMBL3792808 0.81 ALDH1A1 (0.41) MGLLCA1CA2BACE1ALDH1A1
SCHEMBL3785085 0.72 BCAT2 (0.47) MGLLCA1CA2BACE1ALDH1A1
SCHEMBL6036925 0.71 BACE1 (0.41) BACE1ALDH1A1HPGDLMNAMEN1
SCHEMBL12912902 0.71 CYP2A6 (0.43) BACE1ALDH1A1HPGDLMNAMEN1
SCHEMBL2286545 0.69 CYP2A6 (0.38) BACE1ALDH1A1HPGDLMNAMEN1
SCHEMBL11678420 0.69 CYP2A6 (0.38) BACE1ALDH1A1HPGDLMNAMEN1
SCHEMBL27836567 0.69 CYP2A6 (0.47) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL8219401 0.69 ALDH1A1 (0.49) ALDH1A1HPGDLMNAMEN1KMT2A
Phosphine SCHEMBL28718427 0.69 BACE1 (0.41) BACE1ALDH1A1HPGDLMNAMEN1
SCHEMBL10568574 0.69 PTGS1 (0.49) BACE1ALDH1A1HPGDLMNAMEN1

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
CN-114634450-A Organic compound, mixture, composition and organic electroluminescent device 广州华睿光电材料有限公司 2022-06-17 CN disclosed
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 MGLL 1314/4885CA1 3273/4885CA2 1992/4885

“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.