SCHEMBL4875027

SCHEMBL4875027

CCNC(=O)CCCC=CCC1C(OC(=O)CCC(=O)OC2CC(O)C(C=CC(O)CCc3ccccc3)C2CC=CCCCC(=O)NCC)CC(O)C1C=CC(O)CCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.80
AKR1C3 P42330 1/20 0.80
PTGFR P43088 7/20 0.64
PTGER3 P43115 5/20 0.64
MGLL Q99685 1/20 0.56
CA2 P00918 1/20 0.53
PTGER1 P34995 3/20 0.52
PTGER4 P35408 2/20 0.52
TBXA2R P21731 2/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
PDE4D Q08499 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12964800 0.98 ABCB11 (0.77) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL94570 0.98 ABCB11 (0.77) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13960684 0.96 ABCB11 (0.79) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13960682 0.94 ABCB11 (0.80) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13960683 0.92 ABCB11 (0.78) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL19200057 0.92 ABCB11 (0.83) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL10112583 0.91 ABCB11 (0.70) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL15655151 0.91 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13468604 0.91 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13278024 0.91 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180344859-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2018-12-06 US disclosed
US-20180344858-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2018-12-06 US disclosed
US-9884121-B2 Biomaterials and a method for making and using same ALUMEND, LLC (US) 2018-02-06 US disclosed
US-9855337-B2 Biomaterials and a method for making and using the same ALUMEND, LLC (US) 2018-01-02 US disclosed
US-20160175449-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2016-06-23 US disclosed
US-8252771-B2 A modified chitosan and a prostaglandin, prostamide, non-steroidal anti-inflammatory drug, or a corticosteroid; opthalmic drug delivery solution; improved bioavailability ALLERGAN, INC. (US) 2012-08-28 US disclosed
US-20080207561-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALLERGAN, INC. 2008-08-28 US disclosed
US-20080200948-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME PHOTOBIOMED CORPORATION (US) 2008-08-21 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 (5 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-20080200948-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 ABCB11 1104/4885AKR1C3 2459/4885PTGFR 2448/4885
US-20180344859-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 ABCB11 1104/4885AKR1C3 2459/4885PTGFR 2448/4885
US-20180344858-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 ABCB11 1104/4885AKR1C3 2459/4885PTGFR 2448/4885
US-20160175449-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 ABCB11 1104/4885AKR1C3 2459/4885PTGFR 2448/4885
US-20080207561-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME PTGES, PTGES2, PTGIS ABCB11 1226/4885AKR1C3 3119/4885PTGFR 16/4885

“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.