SCHEMBL5031906

SCHEMBL5031906

N#Cc1ccc(-c2nc3cc(O)ccc3o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.74
ESR2 Q92731 12/20 0.74
PIK3CA P42336 1/20 0.64
PIK3CB P42338 1/20 0.64
HDAC6 Q9UBN7 1/20 0.63
HSPD1 P10809 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN5 P54829 1/20 0.56
HSPE1 P61604 1/20 0.56
APP P05067 1/20 0.53
CETP P11597 4/20 0.50

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
SCHEMBL8740097 0.88 ESR1 (0.74) ESR1ESR2HDAC6APP
SCHEMBL27090233 0.87 ESR1 (0.96) ESR1ESR2PIK3CAPIK3CBHSPD1
SCHEMBL4476460 0.86 ESR1 (1.00) ESR1ESR2PIK3CAPIK3CBHDAC6
SCHEMBL12726617 0.82 SMN1; SMN2 (0.74) HDAC6HSPD1PTPN2PTPN1PTPN5
SCHEMBL2427880 0.82 HDAC6 (0.63) ESR1ESR2HDAC6HSPD1PTPN2
SCHEMBL946252 0.81 HDAC6 (0.76) HDAC6HSPD1PTPN2PTPN1PTPN5
SCHEMBL18726303 0.80 ESR1 (0.81) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL4032655 0.80 ESR1 (0.81) ESR1ESR2PIK3CAPIK3CBHSPD1
SCHEMBL5901662 0.80 ESR1 (0.81) ESR1ESR2PIK3CAPIK3CBHDAC6
SCHEMBL1733840 0.79 HDAC6 (0.60) ESR1ESR2HDAC6HSPD1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050244718-A1 Polymerizable, luminescent compounds and mixtures, luminescent polymer materials and their use MERCK PATENT GMBH (DE) 2005-11-03 US disclosed
EP-1517974-A1 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GmbH (DE) 2005-03-30 EP disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP disclosed
WO-2004003103-A1 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GMBH (DE) 2004-01-08 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD ESR1 132/4885ESR2 98/4885PIK3CA 2365/4885

“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.