SCHEMBL15912460

SCHEMBL15912460

COCC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 3/20 0.37
LIPG Q9Y5X9 5/20 0.37
LPL P06858 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DGAT1 O75907 1/20 0.36
F11 P03951 1/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
P4HB P07237 1/20 0.35

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
SCHEMBL15912438 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBLIPG
SCHEMBL9940441 0.82 ALDH1A1 (0.45) ALDH1A1POLBLIPGLPLCA1
SCHEMBL14709239 0.81 ALDH1A1 (0.46) ALDH1A1POLBCYP2C19LMNATSHR
SCHEMBL15897466 0.78 ALDH1A1 (0.44) ALDH1A1LIPGLPLCYP2C19LMNA
SCHEMBL12989610 0.75 CA1 (0.47) LIPGLPLCA1CA2CA9
SCHEMBL14709101 0.75 CA1 (0.42) LIPGLPLCA1CA2CA9
SCHEMBL31158444 0.73 LPL (0.42) LIPGLPLCA1CA2CA9
SCHEMBL15774984 0.73 LPL (0.45) LIPGLPLCA1CA2CA9
SCHEMBL14790503 0.73 LIPG (0.45) LIPGLPLCA1CA2CA9
SCHEMBL3680238 0.73 F11 (0.48) LIPGLPLCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MEN1 1384/4885KMT2A 2450/4885ALDH1A1 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.