SCHEMBL6078730

SCHEMBL6078730

CCOC(=O)CN(CC(O)COC)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.42
PIN1 Q13526 1/20 0.40
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
ALOX5 P09917 1/20 0.38
PPID Q08752 1/20 0.36

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
SCHEMBL3230695 0.88 ABCB1 (0.41) ABCB1PIN1LTA4HALDH1A1L3MBTL1
SCHEMBL7261985 0.88 ABCB1 (0.43) ABCB1ALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL6079323 0.82 PIN1 (0.42) ABCB1PIN1LTA4HALDH1A1L3MBTL1
SCHEMBL16488805 0.81 CCR6 (0.47) PIN1LTA4HALDH1A1L3MBTL1MAPK1
SCHEMBL11307171 0.81 ALDH1A1 (0.47) PIN1LTA4HALDH1A1L3MBTL1MAPK1
SCHEMBL5064881 0.81 EPHX2 (0.42) ABCB1PIN1LTA4HALDH1A1L3MBTL1
SCHEMBL6079619 0.80 POLB (0.50) ABCB1PIN1LTA4HALDH1A1L3MBTL1
SCHEMBL4523780 0.80 PIN1 (0.42) ABCB1PIN1LTA4HALDH1A1L3MBTL1
SCHEMBL3423094 0.78 ALOX5 (0.51) PIN1LTA4HALDH1A1L3MBTL1MAPK1
SCHEMBL2215061 0.77 CCR6 (0.46) PIN1LTA4HALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122662-B2 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-10-17 US disclosed
US-20050148769-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. 2005-07-07 US disclosed
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346994-A1 CHOLESTEROL BIOSYNTHESIS INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT TRICYCLIC SPIRO COMPOUNDS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 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 (3 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI ABCB1 994/4885PIN1 1946/4885LTA4H 1611/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ABCB1 2280/4885PIN1 1382/4885LTA4H 2312/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ABCB1 2396/4885PIN1 1047/4885LTA4H 2137/4885

“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.