SCHEMBL5612563

SCHEMBL5612563

CCC(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
CCR6 P51684 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 5/20 0.36

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
SCHEMBL5537841 0.87 HKDC1 (0.46) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL13295168 0.83 CYP2D6 (0.67) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL11346014 0.81 CYP2D6 (0.43) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL11347599 0.81 CYP2D6 (0.43) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL1245470 0.81 TSHR (0.50) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL11352276 0.81 CYP3A4 (0.43) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL9499184 0.79 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL31666452 0.79 CYP2C9 (0.49) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL5023082 0.79 CYP2C9 (0.76) CYP2D6CYP2C9CYP2C19ALOX15TP53
SCHEMBL1068980 0.79 CYP2C9 (0.49) CYP2D6CYP2C9CYP2C19ALOX15TP53

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1445019-B1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands INVISTA TECH SARL (US) 2007-03-14 EP claimed
EP-1430950-B1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands INVISTA TECH SARL (US) 2006-02-22 EP claimed
EP-1225978-B1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS INVISTA TECH SARL (US) 2005-03-16 EP claimed
US-6855799-B2 Polymeric phosphite composition and hydrocyanation of unsaturated organic compounds and the isomerization of unsaturated nitriles INVISTA NORTH AMERICA S.A.R.L. 2005-02-15 US claimed
EP-1445019-A1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands INVISTA Technologies S.à.r.l. (US) 2004-08-11 EP claimed
US-6768028-B2 USING COMPLEX CATALYST CONTAINING GROUP 8 METAL INVISTA NORTH AMERICA S.A.R.L. 2004-07-27 US claimed
EP-1430950-A1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands E.I. du Pont de Nemours and Company (US) 2004-06-23 EP claimed
EP-1216268-B1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES DU PONT (US) 2003-11-12 EP claimed
JP-2003533337-A 2003-11-11 JP claimed
US-20020177737-A1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands INVISTA NORTH AMERICA S.A.R.L. 2002-11-28 US claimed
EP-1225978-A1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-07-31 EP claimed
US-6420611-B1 GROUP 8 METAL WITH PHOSPHITE POLYMERS FROM POLYHYDRIC ALCOHOL, AMINE AND PHOSPHOCHLOROIDITE E. I. DU PONT DE NEMOURS AND COMPANY 2002-07-16 US claimed
EP-1216268-A1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-26 EP claimed
US-20010049431-A1 Polymeric phosphite composition and hydrocyanation of unsaturated organic compounds and the isomerization of unsaturated nitriles INVISTA NORTH AMERICA S.A.R.L. 2001-12-06 US claimed
WO-2001021684-A1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO claimed
WO-2001021308-A1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO claimed
CN-111367143-B Black resin composition for light shielding film, substrate with light shielding film, color filter and touch screen 日铁化学材料株式会社 2023-10-31 CN disclosed
EP-1445019-B1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands INVISTA TECH SARL (US) 2007-03-14 EP disclosed
WO-2001021308-A1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO disclosed
EP-0410514-A1 Polyetherimide-polyamide blend DSM N.V. (NL) 1991-01-30 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-20020177737-A1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands PHOSPHO1, PPIP5K2, PF4 CYP2D6 3542/4885CYP2C9 3020/4885CYP2C19 3787/4885

“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.