SCHEMBL6079931

SCHEMBL6079931

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
PIN1 Q13526 1/20 0.39
LTA4H P09960 1/20 0.38
LMNA P02545 2/20 0.38
PPID Q08752 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB1 P08183 2/20 0.37
F2 P00734 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
SCHEMBL4523780 0.89 PIN1 (0.42) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL11307171 0.83 ALDH1A1 (0.47) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL16488805 0.81 CCR6 (0.47) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL3423094 0.80 ALOX5 (0.51) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL15194247 0.79 CCR6 (0.48) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL15275367 0.79 CCR6 (0.45) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL3212998 0.79 CCR6 (0.45) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL15183633 0.78 ALOX5 (0.49) ALDH1A1CCR6PAX8ALOX5L3MBTL1
SCHEMBL3228835 0.78 ALDH1A1 (0.42) ALDH1A1CCR6PAX8ALOX5L3MBTL1
Hydrochloric Acid SCHEMBL15266733 0.78 CCR6 (0.44) ALDH1A1CCR6PAX8ALOX5L3MBTL1

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
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 US disclosed
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 EP 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-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ALDH1A1 1073/4885CCR6 3068/4885PAX8 4041/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ALDH1A1 1791/4885CCR6 3031/4885PAX8 4007/4885

“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.