SCHEMBL4814937

SCHEMBL4814937

CCC(Oc1ccc(Br)c(C)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
PPARA Q07869 10/20 0.47
PPARG P37231 9/20 0.47
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL8615615 0.85 SMN1; SMN2 (1.00) SMN1; SMN2PPARAPPARGTDP1MEN1
SCHEMBL8935664 0.85 SMN1; SMN2 (1.00) SMN1; SMN2PPARAPPARGTDP1MEN1
SCHEMBL4820214 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PPARAPPARGTDP1MEN1
SCHEMBL8431218 0.82 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARGMAPTTSHR
SCHEMBL14121845 0.81 SMN1; SMN2 (0.74) SMN1; SMN2PPARAPPARGTDP1MEN1
SCHEMBL7978358 0.80 SMN1; SMN2 (0.63) SMN1; SMN2PPARAPPARG
SCHEMBL11359371 0.80 SMN1; SMN2 (0.73) SMN1; SMN2PPARAPPARGTDP1MEN1
SCHEMBL421329 0.80 SMN1; SMN2 (0.63) SMN1; SMN2PPARAPPARG
SCHEMBL8935859 0.78 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG
SCHEMBL8935844 0.78 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG

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.