SCHEMBL3042226

SCHEMBL3042226

CCCCCCOc1ccc(CNC[C@H](C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.57
S1PR1 P21453 3/20 0.57
S1PR3 Q99500 3/20 0.57
LPAR2 Q9HBW0 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
NR5A1 Q13285 1/20 0.51
PLA2G4B P0C869 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PDE4A P27815 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
S1PR4 O95977 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL13220995 1.00 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL3042232 1.00 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL25807952 0.82 S1PR2 (0.62) S1PR2S1PR1S1PR3LPAR2RAB9A
SCHEMBL10362438 0.80 NR5A1 (0.59) SMN1; SMN2MEN1RAB9AKMT2ANR5A1
SCHEMBL1437973 0.80 RAB9A (0.51) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL26497466 0.80 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL17190624 0.79 NR5A1 (0.53) S1PR2S1PR1S1PR3LPAR2RAB9A
SCHEMBL3712989 0.79 ALDH1A1 (0.48) S1PR2S1PR1S1PR3SMN1; SMN2MEN1
SCHEMBL9733079 0.78 HRH3 (0.59) S1PR1S1PR3SMN1; SMN2MEN1KMT2A
SCHEMBL725878 0.78 ALDH1A1 (0.72) S1PR2S1PR1S1PR3KMT2ACYP1A2

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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 S1PR2 6/4885S1PR1 3/4885S1PR3 5/4885

“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.