SCHEMBL15912428

SCHEMBL15912428

CC(=O)C1OCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.37
LIPG Q9Y5X9 6/20 0.36
F11 P03951 3/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LPL P06858 5/20 0.33
P4HB P07237 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL15919087 0.84 ROCK1 (0.36) ROCK1LIPGF11F2PRSS1
SCHEMBL31394566 0.80 LPL (0.37) ROCK1LIPGF11LPLCA1
SCHEMBL20700302 0.76 LIPG (0.38) ROCK1LIPGF11F2PRSS1
SCHEMBL12501638 0.76 F11 (0.38) ROCK1LIPGF11F2PRSS1
SCHEMBL21198596 0.76 SMN1; SMN2 (0.49) ROCK1LIPGRAB9AALDH1A1KMT2A
SCHEMBL20700304 0.75 THRB (0.46) RAB9AALDH1A1KMT2ATSHR
SCHEMBL15912427 0.74 RAB9A (0.48) RAB9AALDH1A1KMT2ATSHR
SCHEMBL12299346 0.73 F11 (0.38) ROCK1LIPGF11LPLHIF1A
SCHEMBL17418921 0.73 F11 (0.38) ROCK1LIPGF11LPLHIF1A
SCHEMBL31158040 0.72 MTNR1B (0.36) ROCK1LIPGF11F2PRSS1

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-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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 (2 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 ROCK1 1820/4885LIPG 97/4885F11 1956/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ROCK1 1820/4885LIPG 97/4885F11 1956/4885

“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.