SCHEMBL2884923

SCHEMBL2884923

COC(=O)c1ccc(-c2ccc(C(=O)OC)c(Cl)c2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.57
ABL1 P00519 1/20 0.53
SLC6A3 Q01959 6/20 0.50
SLC6A4 P31645 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
PDK4 Q16654 1/20 0.48
SLC6A2 P23975 3/20 0.47

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
SCHEMBL23226657 0.91 PDK2 (0.51) PDK2ABL1SLC6A3SLC6A4MAPT
SCHEMBL6502082 0.91 PDK2 (0.57) PDK2SLC6A3SLC6A4MAPTSMN1; SMN2
SCHEMBL1761427 0.90 GAA (0.54) PDK2ABL1SLC6A3SLC6A4MAPT
SCHEMBL17185620 0.87 PDK2 (0.48) PDK2ABL1SLC6A3SLC6A4MAPT
SCHEMBL23380259 0.86 PDK2 (0.50) PDK2ABL1SLC6A3SLC6A4MAPT
SCHEMBL5924701 0.85 PDK2 (0.58) PDK2ABL1SLC6A3SLC6A4MAPT
SCHEMBL1949760 0.84 ABL1 (0.48) PDK2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL1761462 0.84 TDP1 (0.54) PDK2SLC6A3MAPTSMN1; SMN2GAA
SCHEMBL608814 0.84 ABL1 (0.68) ABL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18422022 0.83 BRD4 (0.49) PDK2ABL1SLC6A3SLC6A4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 PDK2 3723/4885ABL1 2248/4885SLC6A3 4594/4885

“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.