SCHEMBL4206294

SCHEMBL4206294

COc1ccccc1-c1cc(Cl)cc(C(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 1/20 0.51
ALOX15 P16050 1/20 0.50
ADORA3 P0DMS8 4/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
ADORA1 P30542 2/20 0.46
DHODH Q02127 1/20 0.46
DCTPP1 Q9H773 1/20 0.46
CTSA P10619 1/20 0.45
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
HPGDS O60760 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
EIF4E P06730 1/20 0.43

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
SCHEMBL4204970 0.88 ADORA3 (0.51) HSP90AA1HSP90AB1ADORA3ALDH1A1HPGD
SCHEMBL4214978 0.84 ALOX15 (0.51) HSP90AA1HSP90AB1ALOX15ADORA3ALDH1A1
SCHEMBL5015339 0.80 ADORA3 (0.60) HSP90AA1HSP90AB1ALOX15ADORA3ALDH1A1
SCHEMBL1735060 0.78 CHRNA7 (0.50) HSP90AA1HSP90AB1ALOX15ADORA3ALDH1A1
SCHEMBL4490553 0.78 HSP90AA1 (0.58) HSP90AA1HSP90AB1ADORA3ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4200702 0.77 HSP90AA1 (0.51) HSP90AA1HSP90AB1ADORA3ALDH1A1HPGD
SCHEMBL4206708 0.76 HSP90AA1 (0.44) HSP90AA1HSP90AB1ADORA3ALDH1A1HPGD
SCHEMBL317192 0.76 MCL1 (0.58) ADORA3ALDH1A1HPGDADORA1KDM4E
SCHEMBL2468801 0.75 HSP90AA1 (0.54) HSP90AA1HSP90AB1ADORA3ALDH1A1HPGD
SCHEMBL14014334 0.75 KDM4E (0.59) ALDH1A1HPGDKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R HSP90AA1 4006/4885HSP90AB1 3958/4885ALOX15 3597/4885

“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.