SCHEMBL714975

SCHEMBL714975

[O]c1ccc2ccccc2c1-c1c([O])ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP2A6 P11509 3/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
WDR5 P61964 1/20 0.50
HPRT1 P00492 1/20 0.50
DNMT1 P26358 1/20 0.48
MAPT P10636 1/20 0.46
PAX8 Q06710 1/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
CES1 P23141 2/20 0.45
GPR84 Q9NQS5 1/20 0.44
CYP1A2 P05177 3/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL8471117 0.86 WDR5 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2199626 0.84 DNMT1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
1,2-Naphthoquinone SCHEMBL2146624 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7299341 0.75 PTPN22 (0.60) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4629889 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4629514 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1402670 0.75 TSHR (0.60) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4630777 0.75 CYP2A6 (0.60) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7364085 0.75 POLB (0.56) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.73 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243098-B2 Compound, polymer, cross-linked compound of polymer, and optical element including cross-linked compound CANON KABUSHIKI KAISHA (JP) 2016-01-26 US disclosed
US-9073810-B2 Catalyst systems for the catalytic oligomerization of olefinic monomers SHELL OIL COMPANY (US) 2015-07-07 US disclosed
US-9073809-B2 Catalyst systems for the catalytic oligomerization of olefinic monomers SHELL OIL COMPANY (US) 2015-07-07 US disclosed
US-20140163175-A1 NOVEL COMPOUND, POLYMER, CROSS-LINKED COMPOUND OF POLYMER, AND OPTICAL ELEMENT INCLUDING CROSS-LINKED COMPOUND CANON KABUSHIKI KAISHA (JP) 2014-06-12 US disclosed
US-20140135551-A1 Catalyst Systems for the Catalytic Oligomerization of Olefinic Monomers SHELL OIL COMPANY (US) 2014-05-15 US disclosed
US-20140107304-A1 CATALYST SYSTEMS FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS SHELL OIL COMPANY (US) 2014-04-17 US disclosed
US-8680220-B2 Catalyst systems for the catalytic oligomerization of olefinic monomers SHELL OIL COMPANY (US) 2014-03-25 US disclosed
US-8637617-B2 Catalyst systems for the catalytic oligomerization of olefinic monomers SHELL OIL COMPANY (US) 2014-01-28 US disclosed
US-8357765-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-20120264889-A1 PRODUCTION PROCESS OF OLEFIN POLYMERIZATION CATALYST AND OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20100317814-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS DE BOER ERIC JOHANNES MARIA 2010-12-16 US disclosed
US-20100311929-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS DE BOER ERIC JOHANNES MARIA 2010-12-09 US disclosed
US-20100311928-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS DE BOER ERIC JOHANNES MARIA 2010-12-09 US disclosed
US-20100311932-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS DE BOER ERIC JOHANNES MARIA 2010-12-09 US disclosed
US-7803886-B2 Ligands and catalyst systems thereof for the catalytic oligomerization of olefinic monomers SHELL OIL COMPANY (US) 2010-09-28 US disclosed
US-7642357-B2 Iridium complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-05 US disclosed
EP-2125845-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
US-20090062493-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS SHELL OIL COMPANY 2009-03-05 US disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 US disclosed
WO-2008077908-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-07-03 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 (8 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-20090062493-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS MSMO1, BPHL, CCNL2 ALDH1A1 1490/4885HSD17B10 120/4885CYP2A6 332/4885
US-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 ALDH1A1 1340/4885HSD17B10 1685/4885CYP2A6 1434/4885
US-20100311928-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS OXER1, NOD2, OPRM1 ALDH1A1 3895/4885HSD17B10 915/4885CYP2A6 1871/4885
US-20100317814-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS CCNL2, MSMO1, CBR1 ALDH1A1 1643/4885HSD17B10 98/4885CYP2A6 363/4885
US-20140135551-A1 Catalyst Systems for the Catalytic Oligomerization of Olefinic Monomers CCNL2, POR, INTS9 ALDH1A1 3054/4885HSD17B10 33/4885CYP2A6 62/4885
US-20100311929-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS COG4, OXER1, RRS1 ALDH1A1 3392/4885HSD17B10 1077/4885CYP2A6 2208/4885
US-20100311932-A1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR THE CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS CDK20, INTS9, CCNL2 ALDH1A1 2729/4885HSD17B10 31/4885CYP2A6 101/4885
US-20140163175-A1 NOVEL COMPOUND, POLYMER, CROSS-LINKED COMPOUND OF POLYMER, AND OPTICAL ELEMENT INCLUDING CROSS-LINKED COMPOUND PCLAF, PCNA, SMC2 ALDH1A1 3378/4885HSD17B10 1969/4885CYP2A6 3913/4885

“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.