SCHEMBL6540746

SCHEMBL6540746

N#Cc1cccc([C@@H](O)CO)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.45
GRM4 Q14833 1/20 0.44
ENPP2 Q13822 1/20 0.43
TNF P01375 1/20 0.42
GSK3B P49841 2/20 0.41
SCN9A Q15858 3/20 0.40
ALK Q9UM73 1/20 0.39
FAAH O00519 2/20 0.38
GLA P06280 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL4697927 1.00 S1PR1 (0.45) S1PR1GRM4ENPP2TNFGSK3B
SCHEMBL6481575 1.00 S1PR1 (0.45) S1PR1GRM4ENPP2TNFGSK3B
SCHEMBL8949484 0.85 GSK3B (0.49) S1PR1GRM4ENPP2TNFGSK3B
SCHEMBL9646909 0.84 LMNA (0.52) S1PR1GRM4ENPP2TNFGSK3B
SCHEMBL16961857 0.81 S1PR1 (0.45) S1PR1GRM4ENPP2TNFGSK3B
SCHEMBL29256492 0.81 TSHR (0.38) CYP3A4TSHR
SCHEMBL30988804 0.81 TSHR (0.38) CYP3A4TSHR
SCHEMBL12056784 0.81 GRM4 (0.44) S1PR1GRM4ENPP2TNFGSK3B
SCHEMBL25933186 0.81 GLA (0.42) S1PR1GRM4ENPP2TNFGSK3B
SCHEMBL4693798 0.80 ENPP2 (0.48) S1PR1GRM4ENPP2TNFGSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 S1PR1 780/4885GRM4 3766/4885ENPP2 550/4885

“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.