SCHEMBL9101771

SCHEMBL9101771

CC1(C)Cc2cc(/C=C/C(=O)O)ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.52
▸ ALOX5 P09917 2/20 0.46
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA3 P07451 3/20 0.44
▸ CA4 P22748 3/20 0.44
▸ CA6 P23280 3/20 0.44
▸ CA5A P35218 3/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA14 Q9ULX7 3/20 0.44
▸ CA5B Q9Y2D0 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ AKR1B10 O60218 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ AKR1B1 P15121 2/20 0.44

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
SCHEMBL9101781 1.00 KDM4E (0.52) KDM4EALOX5HSD17B10HPGDMAPK1
SCHEMBL7597289 0.83 KDM4E (0.52) KDM4EALOX5HSD17B10HPGDMAPK1
SCHEMBL7597293 0.83 KDM4E (0.52) KDM4EALOX5HSD17B10HPGDMAPK1
SCHEMBL14898033 0.81 KDM4E (0.50) KDM4EALOX5HSD17B10HPGDMAPK1
SCHEMBL29999634 0.80 KDM4E (0.49) KDM4EALOX5HSD17B10HPGDMAPK1
SCHEMBL2558135 0.79 ALDH1A1 (0.44) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL6369128 0.77 KDM4E (0.44) KDM4EALOX5HSD17B10HPGDMAPK1
SCHEMBL6369131 0.77 KDM4E (0.44) KDM4EALOX5HSD17B10HPGDMAPK1
SCHEMBL31417827 0.77 MAOB (0.60) HPGDALDH1A1CYP3A4MEN1LMNA
SCHEMBL23135186 0.76 KDM4E (0.58) KDM4EALOX5HSD17B10HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921559-B2 4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-30 — — US disclosed
EP-2646429-B1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-10-15 — — EP disclosed
EP-2646429-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-10-09 — — EP disclosed
WO-2012075115-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 — — WO disclosed
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-07 — — 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 (1 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-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 KDM4E 1448/4885ALOX5 898/4885HSD17B10 1485/4885

“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.

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