SCHEMBL15919087

SCHEMBL15919087

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.36
HIF1A Q16665 5/20 0.35
LIPG Q9Y5X9 3/20 0.34
LPL P06858 2/20 0.34
RAB9A P51151 1/20 0.34
UCHL1 P09936 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
F11 P03951 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL15912428 0.84 ROCK1 (0.37) ROCK1HIF1ALIPGLPLRAB9A
SCHEMBL15919083 0.78 RAB9A (0.43) RAB9AALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL27267803 0.77 RAB9A (0.36) RAB9ASIGMAR1ALDH1A1KMT2ACYP4F2
SCHEMBL27267866 0.76 RAB9A (0.37) RAB9ASIGMAR1ALDH1A1KMT2ACYP4F2
SCHEMBL795588 0.76 KDM4E (0.42) ROCK1HIF1ALIPGLPLUCHL1
SCHEMBL27267865 0.75 RAB9A (0.36) RAB9ASIGMAR1ALDH1A1KMT2ACYP4F2
SCHEMBL31394566 0.75 LPL (0.37) ROCK1LIPGLPLF11
SCHEMBL21688271 0.75 RAB9A (0.52) RAB9ASIGMAR1ALDH1A1KMT2ATSHR
SCHEMBL20700304 0.74 THRB (0.46) RAB9AALDH1A1KMT2ATSHR
SCHEMBL2082851 0.74 GHSR (0.41)

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 1820/4885HIF1A 3188/4885LIPG 97/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ROCK1 1820/4885HIF1A 3188/4885LIPG 97/4885

“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.