SCHEMBL4290739

SCHEMBL4290739

CCCCCCCCCCc1ccc(CN2CC(C(=O)OCC)(C(=O)OCC)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.54
S1PR3 Q99500 4/20 0.54
S1PR4 O95977 3/20 0.54
S1PR5 Q9H228 3/20 0.54
HRH3 Q9Y5N1 4/20 0.46
LMNA P02545 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KCNA3 P22001 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
SCHEMBL4293459 0.88 LMNA (0.54) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL4300481 0.84 LMNA (0.53) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL4293954 0.84 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL431539 0.81 CYP3A4 (0.56) LMNAMEN1POLBKMT2AALDH1A1
SCHEMBL13957595 0.76 CYP3A4 (0.54) LMNAMEN1POLBKMT2AALDH1A1
SCHEMBL4288723 0.75 THRA (0.42) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL4288725 0.74 SPHK1 (0.46) S1PR1S1PR3S1PR4THRATHRB
SCHEMBL4291335 0.74 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL5797072 0.74 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL4300178 0.74 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 S1PR1 2/4885S1PR3 4/4885S1PR4 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.