SCHEMBL5861891

SCHEMBL5861891

O=C(O)N1CCC(CCCC2CCN(C(=O)c3cccc(Br)c3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TP53 P04637 1/20 0.61
L3MBTL3 Q96JM7 6/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
L3MBTL4 Q8NA19 1/20 0.58
HPGD P15428 1/20 0.58
MBTD1 Q05BQ5 3/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HSD11B1 P28845 1/20 0.54
MGLL Q99685 1/20 0.54

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
SCHEMBL5861897 0.88 ALDH1A1 (0.58) ALDH1A1TP53L3MBTL3L3MBTL1L3MBTL4
Hydrochloric Acid SCHEMBL5862222 0.87 ALDH1A1 (0.57) ALDH1A1TP53L3MBTL3L3MBTL1L3MBTL4
SCHEMBL5861895 0.85 ALDH1A1 (0.54) ALDH1A1TP53L3MBTL3L3MBTL1L3MBTL4
SCHEMBL10723232 0.80 HDAC3 (0.55) ALDH1A1TP53L3MBTL3L3MBTL1L3MBTL4
SCHEMBL10723988 0.80 L3MBTL3 (0.56) ALDH1A1TP53L3MBTL3L3MBTL1L3MBTL4
SCHEMBL27748909 0.79 HDAC3 (0.55) ALDH1A1TP53L3MBTL3L3MBTL1L3MBTL4
SCHEMBL23440304 0.77 ALDH1A1 (0.73) ALDH1A1TP53L3MBTL3L3MBTL1L3MBTL4
SCHEMBL10722204 0.77 HDAC3 (0.58) L3MBTL3L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL15310435 0.77 L3MBTL3 (0.50) ALDH1A1TP53L3MBTL3L3MBTL1HPGD
SCHEMBL13181087 0.76 HDAC3 (0.67) ALDH1A1L3MBTL3L3MBTL1HPGDHDAC3

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
US-7091247-B2 Biphenyl compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-15 US disclosed
US-20040106792-A1 Biphenyl compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 US disclosed
EP-1295867-A1 BIPHENYL COMPOUND Takeda Chemical Industries, Ltd. (JP) 2003-03-26 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-20040106792-A1 Biphenyl compound GPR4, GPR139, GPR142 ALDH1A1 1307/4885TP53 2713/4885L3MBTL3 3735/4885

“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.