SCHEMBL4882983

SCHEMBL4882983

COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.53
MAPT P10636 10/20 0.49
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
ALOX12 P18054 7/20 0.49
GAA P10253 4/20 0.49
USP2 O75604 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALOX15 P16050 3/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 6/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 5/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 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
SCHEMBL4883770 0.93 KMT2A (0.51) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4879392 0.87 L3MBTL1 (0.45) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4880079 0.85 AMY1A (0.52) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL28720177 0.85 MAPT (0.61) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4885680 0.83 AMY1A (0.55) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4879575 0.82 AMY1A (0.47) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4883601 0.82 MEN1 (0.51) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4881203 0.81 MAPT (0.50) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4881251 0.80 CA12 (0.46) AMY1AMAPTMEN1KMT2AALOX12
SCHEMBL4873458 0.80 MAPT (0.45) AMY1AMAPTMEN1KMT2AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P AMY1A 3055/4885MAPT 2220/4885MEN1 4568/4885

“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.