SCHEMBL35683

SCHEMBL35683

CCCCCCc1ccc(-c2ccc(C(=O)OC)cc2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.58
PTGS2 P35354 1/20 0.58
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RARA P10276 1/20 0.54
MTOR P42345 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP4A11 Q02928 3/20 0.52
CYP4F2 P78329 2/20 0.52
EGFR P00533 1/20 0.51
MDH1 P40925 1/20 0.49
HAO1 Q9UJM8 1/20 0.48
FAAH O00519 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL10490937 0.86 RARB (0.72) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL6426200 0.84 RARB (0.51) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL2401275 0.82 RARB (0.69) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL20874436 0.82 RARB (0.69) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL4188800 0.82 RARB (0.69) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL4178997 0.82 RARB (0.69) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL10458005 0.82 PTGS2 (0.76) PTGS2MAPTMEN1KMT2AEGFR
SCHEMBL9124437 0.81 RARB (0.58) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL9850409 0.81 RARB (0.48) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL19288566 0.80 RARB (0.69) RARBMAPTMEN1ALDH1A1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513220-B2 Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity ALLERGAN, INC. (US) 2013-08-20 US disclosed
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2013-01-17 US disclosed
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 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 (2 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-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 RARB 1621/4885PTGS2 4351/4885MAPT 2042/4885
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 RARB 1621/4885PTGS2 4351/4885MAPT 2042/4885

“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.