SCHEMBL4885229

SCHEMBL4885229

CCc1cc(-c2n[nH]cc2Oc2ccc(-c3ccccc3)cc2)c(O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX12 P18054 3/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 2/20 0.42
LTB4R Q15722 5/20 0.39
GAA P10253 2/20 0.39
LTB4R2 Q9NPC1 3/20 0.38
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
CHEK1 O14757 1/20 0.38
FGFR1 P11362 1/20 0.38
CDK4 P11802 1/20 0.38

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
SCHEMBL4884535 0.93 MEN1 (0.52) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL4882770 0.90 ALOX12 (0.54) MEN1KMT2AMAPTNPSR1ALOX12
SCHEMBL4877768 0.87 MEN1 (0.45) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL14396294 0.84 MEN1 (0.54) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL717437 0.83 ALOX12 (0.61) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL4871764 0.77 KMT2A (0.50) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL4876364 0.76 MEN1 (0.51) MEN1KMT2AMAPTNPSR1ALOX12
SCHEMBL4876579 0.75 MAPT (0.52) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL14456088 0.75 MEN1 (0.44) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL4874667 0.75 MEN1 (0.62) MEN1KMT2AMAPTNPSR1MAPK1

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 3 patents. 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
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP disclosed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P MEN1 4568/4885KMT2A 4029/4885MAPT 2220/4885

“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.