SCHEMBL2044796

SCHEMBL2044796

c1ccc(P(c2ccccc2)c2ccccc2Nc2ccccc2P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 2/20 0.50
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
DRD1 P21728 2/20 0.39
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL29053285 0.89 MAPT (0.48) TDP1CYP3A4ESR1ESR2DRD1
SCHEMBL30842833 0.89 MAPT (0.48) TDP1CYP3A4ESR1ESR2DRD1
SCHEMBL13800818 0.88 TDP1 (0.39) TDP1CYP3A4ESR1ESR2DRD1
SCHEMBL13800740 0.88 SLC2A1 (0.41) TDP1CYP3A4DRD1KDM4EMEN1
SCHEMBL4138608 0.84 MAPT (0.49) KDM4EGAAMAPTKMT2ARECQL
SCHEMBL16318152 0.82 CYP3A4 (0.34) TDP1CYP3A4DRD1
SCHEMBL18729658 0.82 TDP1 (0.46) TDP1CYP3A4ESR1ESR2DRD1
SCHEMBL3947196 0.81 PTGS2 (0.46) TDP1CYP3A4DRD1MEN1MAPT
SCHEMBL150139 0.79 TDP1 (0.69) TDP1CYP3A4ESR1ESR2DRD1
SCHEMBL13800677 0.78 RAPGEF4 (0.51) TDP1MEN1MAPTKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-7553924-B2 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (RW) 2009-06-30 US claimed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US claimed
US-7271276-B2 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2007-09-18 US claimed
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US claimed
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US claimed
US-20050137382-A1 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-06-23 US claimed
EP-3699204-B1 MULTI-COPOLYMER, RUBBER COMPOSITION, CROSS-LINKED RUBBER COMPOSITION, RUBBER ARTICLE, AND TIRE BRIDGESTONE CORP (JP) 2024-12-25 EP disclosed
EP-3725841-B1 TIRE, RUBBER CRAWLER, SEISMIC ISOLATION DEVICE, AND HOSE BRIDGESTONE CORP (JP) 2024-08-07 EP disclosed
EP-3725840-B1 RUBBER COMPOSITION, TIRE, CONVEYOR BELT, RUBBER CRAWLER, ANTI-VIBRATION DEVICE, SEISMIC ISOLATION DEVICE, AND HOSE BRIDGESTONE CORP (JP) 2024-08-07 EP disclosed
EP-3363824-B1 MULTICOMPONENT COPOLYMER, RUBBER COMPOSITION, CROSS-LINKED RUBBER COMPOSITION, RUBBER PRODUCT, AND TIRE BRIDGESTONE CORP (JP) 2024-05-01 EP disclosed
EP-3680265-B1 METHOD FOR PRODUCING COPOLYMER, COPOLYMER, RUBBER COMPOSITION, AND TIRE BRIDGESTONE CORP (JP) 2024-01-17 EP disclosed
EP-3363831-B1 MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, CROSSLINKED RUBBER COMPOSITION, RUBBER PRODUCT AND TIRE BRIDGESTONE CORP (JP) 2023-02-01 EP disclosed
US-7271276-B2 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2007-09-18 US disclosed
US-7271276-B2 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2007-09-18 US disclosed
US-7271276-B2 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2007-09-18 US disclosed
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US disclosed
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US disclosed
US-20050137382-A1 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-06-23 US 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 (4 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 TDP1 4392/4885CYP3A4 1109/4885ESR1 73/4885
US-20050137382-A1 Catalytic carbon-carbon bond formation CBR1, NR1H2, NR1H3 TDP1 4575/4885CYP3A4 425/4885ESR1 137/4885
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NCOR2, NCOR1, NR1I2 TDP1 4642/4885CYP3A4 911/4885ESR1 93/4885
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation CBR1, NR2C2, NCOR2 TDP1 4592/4885CYP3A4 702/4885ESR1 113/4885

“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.