SCHEMBL4882929

SCHEMBL4882929

Oc1ccc(-c2n[nH]cc2Oc2ccc(F)cc2F)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 2/20 0.46
ESR1 P03372 3/20 0.40
AMY1A P0DUB6 2/20 0.39
MAPT P10636 3/20 0.37
TRPA1 O75762 2/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALOX12 P18054 2/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GAA P10253 2/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL4882953 0.88 LMNA (0.44) ESR1AMY1AMAPTLMNAKMT2A
SCHEMBL4880998 0.84 MAPT (0.40) ESR1AMY1AMAPTTRPA1LMNA
SCHEMBL4873458 0.84 MAPT (0.45) LPAR2ESR1AMY1AMAPTLMNA
SCHEMBL4881628 0.82 EPAS1 (0.38) LPAR2ESR1TRPA1MAPK14
SCHEMBL4884312 0.81 MAPT (0.40) LPAR2ESR1AMY1AMAPTLMNA
SCHEMBL4882006 0.81 MAPT (0.44) ESR1AMY1AMAPTLMNAALDH1A1
SCHEMBL4881056 0.80 MAPT (0.42) LPAR2ESR1AMY1AMAPTLMNA
SCHEMBL4883579 0.79 MAPT (0.41) LPAR2ESR1AMY1AMAPTLMNA
SCHEMBL4873445 0.77 CAMK2A (0.46) ESR1MAPTLMNAKMT2AMEN1
SCHEMBL4881715 0.77 KMT2A (0.48) ESR1AMY1AMAPTLMNAALDH1A1

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 8 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-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 WO 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
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 WO 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 LPAR2 4509/4885ESR1 2505/4885AMY1A 3055/4885

“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.