SCHEMBL684881

SCHEMBL684881

OCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 2/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.32
RAD52 P43351 1/20 0.32
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31

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
SCHEMBL11343369 0.93 TDP1 (0.36) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11346082 0.91 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11333065 0.91 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11336348 0.91 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11343073 0.91 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11336836 0.91 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11340576 0.91 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
Ethylene Glycol SCHEMBL7950018 0.91 TDP1 (0.38) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL505809 0.85 TDP1 (0.41) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL35092 0.85 CYP3A4 (0.45) TDP1CYP3A4ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819732-A Active polymerization cyclic palladium catalyst and preparation method and application thereof 合肥工业大学 2023-03-21 CN claimed
US-8080667-B2 Electroluminescent metal complexes with triazoles and benzotriazoles BASF SE (DE) 2011-12-20 US claimed
US-7820828-B2 Electroluminescent metal complexes with triazoles and benzotriazoles CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-26 US claimed
US-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-09-30 US claimed
CN-115819732-A Active polymerization cyclic palladium catalyst and preparation method and application thereof 合肥工业大学 2023-03-21 CN disclosed
US-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2019-01-01 US disclosed
EP-1893718-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENOTRIAZOLES UDC IRELAND LTD (IE) 2018-10-03 EP disclosed
EP-2802594-B1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
EP-1966343-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines UDC IRELAND LTD (IE) 2017-02-16 US disclosed
US-9472762-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2016-10-18 US disclosed
US-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-4687874-A Selective hydroformylation process using alkyl diaryl phosphine rhodium carbonyl hydride catalysts EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 US disclosed
US-4668809-A ALKYL DIARYLPHOSPHINE RHODIUM CARBONYL HYDRIDES, HYDROFORMYLATION, OLEFINS EXXON RESEARCH AND ENGINEERING (US) 1987-05-26 US disclosed
US-4595753-A Nitrogen heterocycle substituted EXXON RESEARCH AND ENGINEERING CO. (US) 1986-06-17 US disclosed
EP-0024091-B1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-04-03 EP disclosed
US-4296042-A Preparation of unsaturated aliphatic insect pheromones using cyclic phosphonium ylids SYNTEX (U.S.A.) INC. (US) 1981-10-20 US disclosed
EP-0024091-A4 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-07-16 EP disclosed
EP-0024091-A1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-02-25 EP disclosed
WO-1980001690-A1 CARBONYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH ENGINEERING CO (US) 1980-08-21 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-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex NDUFS5, DDT, NDUFV2 TDP1 2226/4885CYP3A4 152/4885TSHR 4431/4885
US-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES OCIAD1, OXA1L, OCIAD2 TDP1 2004/4885CYP3A4 243/4885TSHR 1510/4885
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines NDUFS2, OCIAD2, NDUFS3 TDP1 3871/4885CYP3A4 470/4885TSHR 4730/4885

“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.