SCHEMBL14710213

SCHEMBL14710213

S=C(Cc1ccc2c(c1)CCc1ccccc1-2)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.58
FAAH O00519 3/20 0.58
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
APOBEC3G Q9HC16 2/20 0.50
GAA P10253 1/20 0.50
NQO1 P15559 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL15897524 0.95 MGLL (0.55) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL12651582 0.79 ALDH1A1 (0.58) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL23048477 0.77 MGLL (0.65) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL3920889 0.76 KMT2A (0.59) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL1108678 0.76 MGLL (0.82) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL7950858 0.75 ALDH1A1 (0.55) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL1859601 0.74 ALDH1A1 (0.53) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL19380615 0.74 MGLL (1.00) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL1984815 0.73 MGLL (0.53) MGLLFAAHALDH1A1KMT2AMEN1
SCHEMBL6189926 0.73 MGLL (0.71) MGLLFAAHALDH1A1KMT2AMEN1

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MGLL 102/4885FAAH 153/4885ALDH1A1 4135/4885

“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.