SCHEMBL5218883

SCHEMBL5218883

CCc1c(-c2ccc(O)cc2)n[nH]c1-c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MAPK1 P28482 2/20 0.44
MAP2K4 P45985 2/20 0.44
MAPKAPK2 P49137 2/20 0.44
MAPK6 Q16659 2/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44
FGFR1 P11362 3/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
CHEK1 O14757 8/20 0.42
RPS6KA3 P51812 3/20 0.41
DYRK1A Q13627 2/20 0.41
ALK Q9UM73 1/20 0.41
EEF2K O00418 1/20 0.41
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL7820094 0.85 CHEK1 (0.49) MAPK1MAP2K4MAPKAPK2MAPK6FGFR1
SCHEMBL12567890 0.82 ALDH1A1 (0.55) MAPK1KDR
SCHEMBL8008699 0.80 KMT2A (0.50) CDK2DYRK1B
SCHEMBL7996516 0.78 RPS6KA3 (0.47) PDPK1HSP90AB1CHEK1RPS6KA3DYRK1A
SCHEMBL7814496 0.78 FGFR1 (0.41) PDPK1HSP90AB1MAPK1MAP2K4MAPKAPK2
SCHEMBL7820344 0.76 PDPK1 (0.40) PDPK1HSP90AB1MAPK1MAP2K4MAPKAPK2
SCHEMBL5221728 0.74 PDPK1 (0.44) PDPK1HSP90AB1MAPK1MAP2K4MAPKAPK2
SCHEMBL7820618 0.74 ESR1 (0.41) PDPK1HSP90AB1MAPK1MAP2K4MAPKAPK2
SCHEMBL30639562 0.69 MAPT (0.46) PDPK1HSP90AB1MAPK1MAP2K4MAPKAPK2
SCHEMBL8011429 0.69 RPS6KA3 (0.69) MAPK1FGFR1CHEK1RPS6KA3DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000019994-A9 ESTROGEN RECEPTOR LIGANDS UNIV ILLINOIS (US) 2000-08-31 WO disclosed
WO-2000019994-A1 ESTROGEN RECEPTOR LIGANDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-13 WO disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PDPK1 676/4885HSP90AB1 2530/4885MAPK1 1827/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 PDPK1 676/4885HSP90AB1 2530/4885MAPK1 1827/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PDPK1 676/4885HSP90AB1 2530/4885MAPK1 1827/4885

“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.