SCHEMBL2114989

SCHEMBL2114989

COc1cc(O)c2c(O)c3c(cc2c1)CC(C)OC3=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.70
KLK5 Q9Y337 1/20 0.70
OPRD1 P41143 1/20 0.47
KDR P35968 8/20 0.46
KIT P10721 7/20 0.46
PDGFRA P16234 7/20 0.46
FLT4 P35916 6/20 0.46
FLT3 P36888 6/20 0.46
MAP2K1 Q02750 4/20 0.46
ACVRL1 P37023 3/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 2/20 0.46
PDGFRB P09619 2/20 0.46
ALK Q9UM73 2/20 0.46
MAP2K2 P36507 2/20 0.46
FLT1 P17948 2/20 0.46
MAP3K7 O43318 3/20 0.45
MAPK1 P28482 3/20 0.45
RELA Q04206 2/20 0.45
MAP2K7 O14733 1/20 0.45

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
SCHEMBL2114985 1.00 KLK7 (0.70) KLK7KLK5OPRD1KDRKIT
SCHEMBL2314134 0.83 OPRD1 (0.62) KLK7KLK5OPRD1KDRKIT
SCHEMBL3366271 0.83 OPRD1 (0.62) KLK7KLK5OPRD1KDRKIT
Vioxanthin SCHEMBL29800659 0.82 KLK7 (1.00) KLK7KLK5MAOAMAOBMAP3K7
SCHEMBL16226914 0.78 IDO1 (0.53) KLK7KLK5OPRD1KDRKIT
SCHEMBL11036695 0.78 ALDH1A1 (0.42) KLK7KLK5KDRKITPDGFRA
SCHEMBL29615880 0.76 KDM4E (0.42) KLK7KLK5OPRD1ACVRL1MAOA
SCHEMBL3366320 0.74 MEN1 (0.64) KLK7KLK5OPRD1KDRKIT
SCHEMBL846317 0.74 KLK7 (0.73) KLK7KLK5OPRD1KDRKIT
SCHEMBL29460459 0.73 KDM4E (0.45) KLK7KLK5KDRKITPDGFRA

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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed

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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 KLK7 1397/4885KLK5 1454/4885OPRD1 4705/4885

“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.