SCHEMBL6468437

SCHEMBL6468437

CCCCOc1ccc(CC)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
S1PR2 O95136 1/20 0.49
S1PR3 Q99500 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FAAH O00519 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LTA4H P09960 1/20 0.40
BACE1 P56817 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL19608555 0.95 S1PR1 (0.54) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL21467393 0.93 S1PR1 (0.56) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL19602416 0.91 CSNK2A1 (0.47) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL9399243 0.89 SMN1; SMN2 (0.56) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL9398975 0.88 GLA (0.55) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL10979158 0.87 S1PR1 (0.52) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL12522468 0.86 S1PR1 (0.50) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL12522476 0.86 GLA (0.50) S1PR1S1PR2S1PR3LPAR2GLA
SCHEMBL18066907 0.84 S1PR1 (0.42) S1PR1S1PR2S1PR3LPAR2LTA4H
SCHEMBL13185197 0.84 S1PR2 (0.42) S1PR1S1PR2S1PR3LPAR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 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 (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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 S1PR1 41/4885S1PR2 58/4885S1PR3 65/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 S1PR1 1660/4885S1PR2 1574/4885S1PR3 1473/4885

“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.