SCHEMBL4815922

SCHEMBL4815922

CCC(Oc1cc(C)c(Br)c(C)c1C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
PPARA Q07869 6/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.40
TP53 P04637 1/20 0.40
PPARG P37231 3/20 0.38
PTPN1 P18031 3/20 0.36
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 1/20 0.34
DRD3 P35462 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL4817468 0.81 SMN1; SMN2 (0.53) SMN1; SMN2PPARAPTGDR2PPARGPTPN1
SCHEMBL4820214 0.81 SMN1; SMN2 (0.69) SMN1; SMN2PPARAPPARGALDH1A1
SCHEMBL4817584 0.78 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPTGDR2PPARGPTPN1
SCHEMBL4816039 0.78 SMN1; SMN2 (0.55) SMN1; SMN2PPARAPTGDR2PPARGPTPN1
SCHEMBL4816920 0.77 PPARA (0.59) SMN1; SMN2PPARAPTGDR2PPARGALDH1A1
SCHEMBL7976453 0.74 SMN1; SMN2 (0.42) SMN1; SMN2PPARAPTGDR2PPARGALDH1A1
SCHEMBL11359371 0.73 SMN1; SMN2 (0.73) SMN1; SMN2PPARAPPARGALDH1A1
SCHEMBL8935645 0.73 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPTGDR2PPARG
SCHEMBL8935648 0.73 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPTGDR2PPARG
SCHEMBL8935696 0.73 PPARA (0.61) SMN1; SMN2PPARAPTGDR2PPARGALDH1A1

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 4525/4885PPARA 752/4885PTGDR2 156/4885

“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.