SCHEMBL4817468

SCHEMBL4817468

CCC(Oc1cc(C)c(Br)cc1C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
PPARA Q07869 4/20 0.50
PPARG P37231 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
GALR3 O60755 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARD Q03181 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PTPN1 P18031 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
STING1 Q86WV6 1/20 0.35

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
SCHEMBL4815922 0.81 SMN1; SMN2 (0.53) SMN1; SMN2PPARAPPARGPTGDR2ALDH1A1
SCHEMBL4816920 0.80 PPARA (0.59) SMN1; SMN2PPARAPPARGPTGDR2POLB
SCHEMBL4814937 0.78 SMN1; SMN2 (0.74) SMN1; SMN2PPARAPPARGPOLBMAPT
SCHEMBL8935907 0.76 SMN1; SMN2 (0.62) SMN1; SMN2PPARAPPARGPTGDR2TSHR
SCHEMBL8935915 0.76 SMN1; SMN2 (0.62) SMN1; SMN2PPARAPPARGPTGDR2TSHR
SCHEMBL8935696 0.76 PPARA (0.61) SMN1; SMN2PPARAPPARGPTGDR2TSHR
SCHEMBL8935691 0.76 PPARA (0.61) SMN1; SMN2PPARAPPARGPTGDR2TSHR
SCHEMBL6239754 0.75 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGPTGDR2LMNA
SCHEMBL27971306 0.75 SMN1; SMN2 (0.51) SMN1; SMN2PPARAPPARGPTGDR2MAPT
SCHEMBL4817584 0.75 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGPTGDR2LMNA

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 752/4885PPARG 570/4885

“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.