SCHEMBL4584644

SCHEMBL4584644

COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C[C@@H](O)c3ccccc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.41
ABCB1 P08183 1/20 0.40
ADRB3 P13945 13/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB1 P08588 7/20 0.39
ADRB2 P07550 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL4584637 1.00 L3MBTL1 (0.42) L3MBTL1KMT2AABCB1ADRB3KDM4E
SCHEMBL4583977 0.83 ADRB3 (0.42) L3MBTL1KMT2AADRB3KDM4EALDH1A1
SCHEMBL4585243 0.83 ADRB3 (0.55) L3MBTL1ADRB3KDM4EALDH1A1ADRB1
SCHEMBL4583975 0.83 ADRB3 (0.42) L3MBTL1KMT2AADRB3KDM4EALDH1A1
SCHEMBL4585240 0.83 ADRB3 (0.55) L3MBTL1ADRB3KDM4EALDH1A1ADRB1
SCHEMBL4584687 0.81 OXTR (0.36) L3MBTL1KMT2AABCB1ADRB3ALDH1A1
SCHEMBL4584691 0.81 OXTR (0.36) L3MBTL1KMT2AABCB1ADRB3ALDH1A1
SCHEMBL5704141 0.78 ADRB3 (0.49) ABCB1ADRB3ADRB1ADRB2APP
SCHEMBL4584322 0.78 L3MBTL1 (0.49) L3MBTL1KMT2AABCB1KDM4EALDH1A1
SCHEMBL19212464 0.77 CA12 (0.47) KMT2AALDH1A1

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 4 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
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO 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 L3MBTL1 1781/4885KMT2A 630/4885ABCB1 4550/4885

“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.