SCHEMBL4884673

SCHEMBL4884673

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 3/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 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
SCHEMBL4881078 0.90 HSP90AA1 (0.40) HSP90AA1ESR1ESR2LMNAMAPT
SCHEMBL4873473 0.86 HSP90AA1 (0.41) HSP90AA1SMN1; SMN2ESR1ESR2KMT2A
SCHEMBL4879457 0.82 HSP90AA1 (0.46) HSP90AA1SMN1; SMN2ESR1ESR2KMT2A
SCHEMBL4881093 0.82 HSP90AA1 (0.44) HSP90AA1SMN1; SMN2ESR1ESR2MAPT
SCHEMBL4877184 0.82 KMT2A (0.44) HSP90AA1HTTSMN1; SMN2ESR1KMT2A
SCHEMBL4876588 0.81 HSP90AA1 (0.40) HSP90AA1ESR1ESR2KMT2AMAPT
SCHEMBL4883680 0.81 HSP90AA1 (0.42) HSP90AA1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL4882081 0.77 HSP90AA1 (0.42) HSP90AA1ESR1ESR2KMT2ALMNA
SCHEMBL4881567 0.77 HSP90AA1 (0.37) HSP90AA1ESR1ESR2KMT2ALMNA
SCHEMBL4879596 0.76 CAMK2A (0.37) HSP90AA1ESR1ESR2KMT2AMAPT

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 2/4885HTT 378/4885SMN1; SMN2 3610/4885

“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.