SCHEMBL4585527

SCHEMBL4585527

O=C(O)N(CCc1ccc(Br)cc1)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 2/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL5881182 0.74 TP53 (0.42) ALDH1A1CA1CA2
SCHEMBL1926093 0.74 TSHR (0.51) ALDH1A1POLB
SCHEMBL15008321 0.73 LMNA (0.40) ALDH1A1LMNAKMT2AMEN1HSP90AA1
SCHEMBL4467147 0.72 RCE1 (0.52) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL29009648 0.72 KMT2A (0.44) TAAR1ALDH1A1KMT2AMEN1CA2
SCHEMBL1901574 0.72 RCE1 (0.52) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL5881190 0.71 TSHR (0.50) ALDH1A1LMNAKMT2AMEN1CA1
SCHEMBL5907003 0.69 ALDH1A1 (0.54) ALDH1A1LMNA
SCHEMBL10399486 0.69 RCE1 (0.52) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL4584835 0.69 MEN1 (0.48) PDPK1TAAR1ALDH1A1GPR52KMT2A

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 PDPK1 4117/4885TAAR1 171/4885ALDH1A1 1621/4885

“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.