SCHEMBL13521069

SCHEMBL13521069

CCCOP(=O)(O)OCCN(C)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.47
GGPS1 O95749 8/20 0.38
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
FDPS P14324 2/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BTN3A1 O00481 1/20 0.31
CYP3A4 P08684 1/20 0.30
LPAR5 Q9H1C0 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL14365954 0.89 MVD (0.47) MVDGGPS1LPAR3LPAR1S1PR2
SCHEMBL15586931 0.85 MVD (0.47) MVDGGPS1LPAR3LPAR1LPAR2
SCHEMBL2628074 0.84 MVD (0.42) MVDGGPS1LPAR3LPAR1LPAR2
SCHEMBL3489299 0.82 MVD (0.47) MVDGGPS1LPAR3LPAR1LPAR2
SCHEMBL497177 0.81 LPAR3 (0.46) LPAR3LPAR1LPAR2MEN1KMT2A
SCHEMBL13618507 0.80 MVD (0.41) MVDGGPS1LPAR3LPAR1LPAR2
SCHEMBL18161272 0.80 MVD (0.41) MVDGGPS1
SCHEMBL7263489 0.79 LPAR3 (0.44) LPAR3LPAR1LPAR2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL128358 0.79 LPAR3 (0.44) LPAR3LPAR1LPAR2MEN1KMT2A
SCHEMBL7005822 0.79 LPAR3 (0.44) LPAR3LPAR1LPAR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9295747-B2 Contact lens care preparation and packaging solution NOF CORPORATION (JP) 2016-03-29 US disclosed
US-20150306118-A9 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION POLA CHEMICAL INDUSTRIES INC. (JP) 2015-10-29 US disclosed
US-20150051170-A2 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION POLA CHEMICAL INDUSTRIES INC. (JP) 2015-02-19 US disclosed
US-20150024987-A1 CONTACT LENS CARE PREPARATION AND PACKAGING SOLUTION NOF CORPORATION (JP) 2015-01-22 US disclosed
US-20140235577-A1 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-08-21 US disclosed
US-8741323-B2 External skin agent comprising modified clay for preventing inflammation POLA CHEMICAL INDUSTRIES INC. (JP) 2014-06-03 US disclosed
US-20100003210-A1 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION POLA CHEMICAL INDUSTRIES INC. (JP) 2010-01-07 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 (4 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-20100003210-A1 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION CUTA, TSLP, NFKBIA MVD 4677/4885GGPS1 4783/4885LPAR3 1842/4885
US-20140235577-A1 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION CUTA, TSLP, NFKBIA MVD 4677/4885GGPS1 4783/4885LPAR3 1842/4885
US-20150051170-A2 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION CUTA, TSLP, NFKBIA MVD 4677/4885GGPS1 4783/4885LPAR3 1842/4885
US-20150306118-A9 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION CUTA, TSLP, NFKBIA MVD 4677/4885GGPS1 4783/4885LPAR3 1842/4885

“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.