SCHEMBL3170185

SCHEMBL3170185

CC(C)(C)OC(=O)CCCOc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL16673260 0.85 L3MBTL1 (0.52) L3MBTL1TDP1RAB9AALDH1A1
SCHEMBL25367299 0.84 L3MBTL1 (0.56) HDAC8L3MBTL1POLBALDH1A1
SCHEMBL3160834 0.84 HDAC8 (0.37) HDAC8L3MBTL1TDP1GAARAB9A
SCHEMBL3170416 0.83 MAPT (0.48) L3MBTL1ALDH1A1
SCHEMBL3167492 0.83 PSEN1 (0.45) HDAC8L3MBTL1GAAPOLBRAB9A
SCHEMBL6439701 0.83 PPARA (0.54) HDAC8L3MBTL1GAA
SCHEMBL25363631 0.83 POLB (0.54) HDAC8GAAPOLBRAB9AALDH1A1
SCHEMBL7472706 0.83 HDAC8 (0.48) HDAC8CA12CA1CA2CA9
SCHEMBL25362868 0.83 SMN1; SMN2 (0.49) HDAC8CA12CA1CA2CA9
SCHEMBL18720317 0.81 PLA2G4B (0.57) L3MBTL1TDP1POLBALDH1A1

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
CN-1809570-B [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK 2011-06-22 CN disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 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 (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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 HDAC8 2300/4885CA12 4076/4885CA1 2191/4885

“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.