SCHEMBL4523780

SCHEMBL4523780

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.42
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.40
ABCB1 P08183 2/20 0.40
LTA4H P09960 1/20 0.39
PPID Q08752 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL6079931 0.89 ALDH1A1 (0.50) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL11307171 0.84 ALDH1A1 (0.47) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL16488805 0.82 CCR6 (0.47) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL3423094 0.81 ALOX5 (0.51) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL6078730 0.80 ABCB1 (0.42) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL15275367 0.80 CCR6 (0.45) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL3212998 0.80 CCR6 (0.45) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL15194247 0.80 CCR6 (0.48) PIN1ALDH1A1L3MBTL1LMNACCR6
SCHEMBL21591622 0.79 PIN1 (0.46) PIN1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL3228835 0.79 ALDH1A1 (0.42) PIN1ALDH1A1L3MBTL1LMNAPOLB

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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
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 (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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI PIN1 1946/4885ALDH1A1 1517/4885L3MBTL1 4575/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 PIN1 1382/4885ALDH1A1 1073/4885L3MBTL1 4688/4885
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A PIN1 4012/4885ALDH1A1 2791/4885L3MBTL1 4571/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 PIN1 1047/4885ALDH1A1 1791/4885L3MBTL1 4795/4885

“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.