SCHEMBL987669

SCHEMBL987669

[CuH].c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.92
CYP3A4 P08684 1/20 0.92
ESR1 P03372 4/20 0.63
ESR2 Q92731 4/20 0.63
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
DRD1 P21728 2/20 0.35
TSHR P16473 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL5028587 0.96 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL2085135 0.96 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
Benzene SCHEMBL6890099 0.96 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL101 0.96 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL25384985 0.92 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL20582981 0.92 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL480830 0.92 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL22445084 0.92 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL22558063 0.92 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL11170638 0.92 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US claimed
EP-2268638-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-01-05 EP claimed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 WO claimed
US-20240148727-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-05-09 US disclosed
US-11911381-B2 Optically active azabicyclo ring derivative Sumitomo Pharma Co., Ltd. (JP) 2024-02-27 US disclosed
US-11643418-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-05-09 US disclosed
US-11369605-B2 Optically active azabicyclo ring derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-28 US disclosed
EP-3689881-B1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MAN CO LTD (JP) 2022-01-12 EP disclosed
US-20210338668-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-11-04 US disclosed
EP-3845533-A1 OPTICALLY ACTIVE AZABICYCLIC DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-07-07 EP disclosed
US-20210198283-A1 OPTICALLY ACTIVE BRIDGED PIPERIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-01 US disclosed
US-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. 2005-07-28 US disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 WO disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 US disclosed
US-6790501-B2 DATA LAYER; REFLECTIVE SILVER OR GOLD LAYER THAT IS OXIDATION RESISTANT; AND REACTIVE LAYER COMPRISING DYE HAVING REDUCED AND OXIDIZED STATES; SILVER OR GOLD. GENERAL ELECTRIC COMPANY 2004-09-14 US disclosed
US-20040138262-A1 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders PFIZER INC. 2004-07-15 US disclosed
US-20040116690-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-06-17 US disclosed
US-20040022986-A1 Limited-play optical media with improved shelf-life and playability GENERAL ELECTRIC COMPANY 2004-02-05 US disclosed
WO-2004010426-A2 LIMITED-PLAY OPTICAL MEDIA WITH IMPROVED SHELF-LIFE AND PLAYABILITY GENERAL ELETRIC COMPANY (US) 2004-01-29 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 (10 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN TDP1 4027/4885CYP3A4 3577/4885ESR1 4176/4885
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 TDP1 2336/4885CYP3A4 803/4885ESR1 995/4885
US-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS PTGIR, PTGDR, PTGER1 TDP1 4351/4885CYP3A4 1649/4885ESR1 1718/4885
US-11369605-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 TDP1 3785/4885CYP3A4 2368/4885ESR1 1321/4885
US-20040138262-A1 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders NR3C1, MC2R, FPR1 TDP1 3045/4885CYP3A4 2281/4885ESR1 2628/4885
US-11911381-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 TDP1 3803/4885CYP3A4 2484/4885ESR1 1435/4885
US-11643418-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B ERLIN1, MAN1B1, DHPS TDP1 3608/4885CYP3A4 1735/4885ESR1 1555/4885
US-20210198283-A1 OPTICALLY ACTIVE BRIDGED PIPERIDINE DERIVATIVE MLLT3, MLLT1, MEN1 TDP1 4381/4885CYP3A4 3235/4885ESR1 1228/4885
US-20240148727-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE MLLT3, MEN1, MLLT1 TDP1 3803/4885CYP3A4 2484/4885ESR1 1435/4885
US-20210338668-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE MLLT3, MEN1, MLLT1 TDP1 3785/4885CYP3A4 2368/4885ESR1 1321/4885

“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.