SCHEMBL13830809

SCHEMBL13830809

Cc1noc(-c2ccc(-c3ccc(C4(C=O)CC4)cc3)cc2)c1CNC(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.41
LPAR1 Q92633 3/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
STAT3 P40763 2/20 0.39
AKR1C3 P42330 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL13830880 0.91 LMNA (0.43) MEN1KMT2AGAATAS2R8LPAR1
SCHEMBL13830916 0.89 ALDH1A1 (0.40) MEN1KMT2ATAS2R8LPAR1ABCC3
SCHEMBL6703 0.86 LPAR1 (0.52) MEN1KMT2AGAATAS2R8LPAR1
SCHEMBL13830945 0.83 LPAR1 (0.42) MEN1KMT2AGAALPAR1ABCC3
SCHEMBL5967 0.82 LPAR1 (0.45) MEN1KMT2AGAATAS2R8LPAR1
SCHEMBL6512 0.79 MEN1 (0.54) MEN1KMT2AGAATAS2R8LPAR1
SCHEMBL6670 0.78 LPAR1 (0.51) MEN1KMT2AGAATAS2R8LPAR1
SCHEMBL13831188 0.77 ABCC3 (0.34) MEN1KMT2ALPAR1ABCC3ABCC4
SCHEMBL7352 0.76 LPAR1 (0.53) MEN1KMT2AGAALPAR1ABCC3
SCHEMBL6519 0.76 LPAR1 (0.53) MEN1KMT2ATAS2R8LPAR1ABCC3

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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MEN1 2286/4885KMT2A 2185/4885GAA 1192/4885

“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.