SCHEMBL4881078

SCHEMBL4881078

Cc1ccc(Oc2c[nH]nc2-c2cc(Br)c(O)cc2O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
HTR1A P08908 2/20 0.33
HTR3A P46098 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL4884673 0.90 HSP90AA1 (0.40) HSP90AA1ESR1ESR2LMNAMAPT
SCHEMBL4873473 0.86 HSP90AA1 (0.41) HSP90AA1ESR1ESR2LMNAMAPT
SCHEMBL4883512 0.82 LMNA (0.42) HSP90AA1HTR1AHTR3AESR1EGLN1
SCHEMBL4881093 0.82 HSP90AA1 (0.44) HSP90AA1ESR1ESR2MAPT
SCHEMBL4883680 0.81 HSP90AA1 (0.42) HSP90AA1TP53GAALMNAMAPT
SCHEMBL4876588 0.81 HSP90AA1 (0.40) HSP90AA1ESR1ESR2TDP1MAPT
SCHEMBL4879457 0.80 HSP90AA1 (0.46) HSP90AA1ESR1ESR2GAALMNA
SCHEMBL4881628 0.78 EPAS1 (0.38) HSP90AA1ESR1ESR2
SCHEMBL4881567 0.77 HSP90AA1 (0.37) HSP90AA1ESR1ESR2LMNAMAPT
SCHEMBL4877833 0.76 HSP90AA1 (0.44) HSP90AA1HTR1AESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP claimed
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 HSP90AA1 2/4885HTR1A 1247/4885HTR3A 1408/4885

“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.