SCHEMBL6822928

SCHEMBL6822928

COc1cc(C2CO2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.69
ACHE P22303 4/20 0.65
PTPN1 P18031 2/20 0.65
MAPK3 P27361 1/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TUBB4A P04350 5/20 0.47
TUBB P07437 5/20 0.47
TUBA3C P0DPH7 5/20 0.47
TUBA1B P68363 5/20 0.47
TUBA4A P68366 5/20 0.47
TUBB4B P68371 5/20 0.47
TUBB3 Q13509 5/20 0.47
TUBB2A Q13885 5/20 0.47
TUBB8 Q3ZCM7 5/20 0.47
TUBA3E Q6PEY2 5/20 0.47
TUBA1A Q71U36 5/20 0.47
TUBA1C Q9BQE3 5/20 0.47
TUBB6 Q9BUF5 5/20 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
SCHEMBL24850471 0.87 PTAFR (0.54) PTAFRACHEPTPN1MAPK3MAPK1
SCHEMBL7060832 0.82 PTAFR (0.62) PTAFRACHEPTPN1MAPK3MAPK1
SCHEMBL6159652 0.82 PTAFR (0.62) PTAFRACHEPTPN1MAPK3MAPK1
SCHEMBL6159671 0.82 PTAFR (0.62) PTAFRACHEPTPN1MAPK3MAPK1
SCHEMBL7060824 0.82 PTAFR (0.62) PTAFRACHEPTPN1MAPK3MAPK1
SCHEMBL7817198 0.82 PTAFR (0.49) PTAFRACHEPTPN1MAPK3MAPK1
SCHEMBL6159663 0.82 PTAFR (0.62) PTAFRACHEPTPN1MAPK3MAPK1
SCHEMBL7018004 0.82 PTAFR (1.00) PTAFRACHEPTPN1MEN1KMT2A
SCHEMBL10456245 0.82 PTAFR (1.00) PTAFRACHEPTPN1MEN1KMT2A
SCHEMBL7018006 0.82 PTAFR (1.00) PTAFRACHEPTPN1MEN1KMT2A

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
EP-0812825-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-02-11 EP disclosed
US-20020091120-A1 2-substituted heterocyclic compounds for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-07-11 US disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
CN-1172476-A Propenone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-02-04 CN disclosed
EP-0812825-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-17 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-20020091120-A1 2-substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 PTAFR 1270/4885ACHE 3787/4885PTPN1 3326/4885

“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.