SCHEMBL4948952

SCHEMBL4948952

CCCCC/C=C/CCCCCCCC(O)CC(O)COC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.70
CYP3A4 P08684 3/20 0.70
MAPT P10636 3/20 0.70
ALDH1A1 P00352 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HPGD P15428 1/20 0.70
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
DGKA P23743 1/20 0.53
PRKCA P17252 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
LPAR1 Q92633 8/20 0.51
LPAR4 Q99677 4/20 0.51
LPAR2 Q9HBW0 4/20 0.51
LPAR3 Q9UBY5 4/20 0.51
ENPP2 Q13822 2/20 0.48
LPAR5 Q9H1C0 2/20 0.48

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
SCHEMBL12096998 0.96 USP2 (0.65) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL1164492 0.96 USP2 (0.65) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL1164493 0.96 USP2 (0.65) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20072294 0.91 USP2 (0.68) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL1965555 0.91 USP2 (0.68) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL13054629 0.91 USP2 (0.68) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL27881284 0.91 USP2 (0.68) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20248050 0.84 USP2 (0.76) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20063077 0.84 USP2 (0.64) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20063072 0.84 USP2 (0.76) USP2CYP3A4MAPTALDH1A1SMN1; SMN2

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-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 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-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 USP2 2583/4885CYP3A4 4748/4885MAPT 4181/4885

“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.