SCHEMBL4816543

SCHEMBL4816543

CCOc1cc(Br)ccc1OC(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 4/20 0.44
HSD17B10 Q99714 2/20 0.44
PPARA Q07869 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CREBBP Q92793 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL27971306 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TSHRPPARAHPGDLMNA
SCHEMBL6239754 0.84 SMN1; SMN2 (0.49) SMN1; SMN2PPARALMNAPTGDR2CYSLTR2
SCHEMBL4812741 0.82 SMN1; SMN2 (0.48) SMN1; SMN2PPARALMNAPTGDR2KMT2A
SCHEMBL4816920 0.82 PPARA (0.59) SMN1; SMN2TSHRPPARAHPGDLMNA
SCHEMBL21057133 0.81 SMN1; SMN2 (0.47) SMN1; SMN2TSHRPPARAHPGDLMNA
SCHEMBL21057136 0.81 SMN1; SMN2 (0.47) SMN1; SMN2TSHRPPARAHPGDLMNA
SCHEMBL21057144 0.81 PPARA (0.50) SMN1; SMN2TSHRPPARAHPGDLMNA
SCHEMBL21057134 0.81 PPARA (0.49) SMN1; SMN2PPARAPTGDR2
SCHEMBL4819977 0.81 PPARA (0.50) SMN1; SMN2TSHRPPARAHPGDLMNA
SCHEMBL4817990 0.81 PPARA (0.49) SMN1; SMN2PPARAPTGDR2

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-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A SMN1; SMN2 4525/4885TSHR 181/4885HSD17B10 118/4885

“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.