SCHEMBL2939094

SCHEMBL2939094

IP(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.53
CYP3A4 P08684 3/20 0.53
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 6/20 0.42
ALOX12 P18054 3/20 0.42
TSHR P16473 2/20 0.42
PTGS2 P35354 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 2/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2B P41595 1/20 0.42
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
CTSD P07339 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
AR P10275 1/20 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
SCHEMBL8005047 0.84 HPGD (0.52) TDP1CYP3A4ALDH1A1ALOX12TSHR
SCHEMBL971742 0.79
SCHEMBL1360180 0.76 TDP1 (0.50) TDP1CYP3A4HSD17B10ALDH1A1ALOX12
SCHEMBL8003746 0.73
SCHEMBL31037440 0.73
SCHEMBL230266 0.73 TDP1 (0.75) TDP1CYP3A4HSD17B10ALDH1A1ALOX12
SCHEMBL28602240 0.73 TDP1 (0.75) TDP1CYP3A4HSD17B10ALDH1A1ALOX12
SCHEMBL16808975 0.71 CYP3A4 (0.45) TDP1CYP3A4HSD17B10ALDH1A1ALOX12
SCHEMBL5028587 0.69 TDP1 (1.00) TDP1CYP3A4HSD17B10ALDH1A1ALOX12
SCHEMBL101 0.69 TDP1 (1.00) TDP1CYP3A4HSD17B10ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785157-B Phosphono heterocyclic phosphonate compound, preparation and application thereof 四川大学 2024-04-12 CN claimed
CN-115838376-A Phosphine coordination polynuclear copper complex electroluminescent material based on double-donor modification, and synthesis method and application thereof 黑龙江大学 2023-03-24 CN claimed
CN-115785157-A Phosphonic heterocyclic phosphonate compound and preparation and application thereof 四川大学 2023-03-14 CN claimed
EP-3268129-B1 OLEFIN OLIGOMERISATION PROCESS WITH A CATALYST COMPRISING A CHROMIUM COMPLEX WITH A PHOSPHACYCLE-CONTAINING LIGAND DOW GLOBAL TECHNOLOGIES LLC (US) 2025-06-18 EP disclosed
CN-113896607-B Olefin oligomerization process using a catalyst comprising a chromium complex having a phosphacycle-containing ligand 陶氏环球技术有限责任公司 2024-04-16 CN disclosed
CN-115785157-B Phosphono heterocyclic phosphonate compound, preparation and application thereof 四川大学 2024-04-12 CN disclosed
CN-117659084-A Aromatic amine modified tridentate phosphine coordination copper complex, and preparation method and application thereof 黑龙江大学 2024-03-08 CN disclosed
US-11896965-B2 Chromium complex and catalyst therefrom DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-13 US disclosed
CN-117285564-A Dibenzothiophene sulfone compound, and preparation method and application thereof 黑龙江大学 2023-12-26 CN disclosed
CN-117209512-A Polynuclear copper complex based on triphenylphosphine group coordination and application thereof 黑龙江大学 2023-12-12 CN disclosed
CN-117069765-A Phenylphosphine compound containing phenanthroimidazole, preparation method and application thereof 黑龙江大学 2023-11-17 CN disclosed
US-20100298499-A1 NOVEL LIVING RADICAL POLYMERIZATION METHOD USING A PHOSPHORUS COMPOUND OR NITROGEN COMPOUND AS A CATALYST KYOTO UNIVERSITY (JP) 2010-11-25 US disclosed
EP-2147936-A1 NOVEL LIVING RADICAL POLYMERIZATION METHOD USING PHOSPHORUS COMPOUND OR NITROGEN COMPOUND AS CATALYST Kyoto University (JP) 2010-01-27 EP disclosed
EP-2090637-A1 Organic electroluminescent compounds and light emitting diode using the same Gracel Display Inc. (KR) 2009-08-19 EP disclosed
US-6031066-A POLYMERIZING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID ESTER CONTAINING A TERTIARY AMINO GROUP AS A POLYMERIZABLE MONOMER IN THE PRESENCE OF A PHOSPHORUS COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-02-29 US disclosed
US-5180848-A Synthesis of phosphinoacetic acids PHILLIPS PETROLEUM COMPANY (US) 1993-01-19 US disclosed
US-5157153-A Reacting alkyl ethynyl ether or monohaloacetaldehyde acetal with alkali metal base, then with halodihydrocarbylphosphine; adding mineral acid, hydrolyzing PHILLIPS PETROLEUM COMPANY (US) 1992-10-20 US disclosed
US-4680342-A Flame resistant alkenyl aromatic compounds and polymers containing chemically bonded phosphorus and blends with polyphenylene ether GENERAL ELECTRIC COMPANY (US) 1987-07-14 US disclosed
EP-0147724-A2 Flame resistant alkenyl aromatic compounds and polymers containing chemically bonded phosphorus and blends with polyphenylene ether GENERAL ELECTRIC COMPANY (US) 1985-07-10 EP disclosed
US-3975447-A Preparation of aromatic phosphine oxides by reaction of diarylhalophosphine and benzylic halide E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-17 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 (2 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-20100298499-A1 NOVEL LIVING RADICAL POLYMERIZATION METHOD USING A PHOSPHORUS COMPOUND OR NITROGEN COMPOUND AS A CATALYST PNPO, PPOX, CBR3 TDP1 3089/4885CYP3A4 608/4885HSD17B10 2449/4885
US-11896965-B2 Chromium complex and catalyst therefrom OXER1, LIG1, PICALM TDP1 881/4885CYP3A4 2079/4885HSD17B10 1231/4885

“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.