SCHEMBL7216237

SCHEMBL7216237

N#CCCOP(=O)([O-])[O-].[Ba+2]

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Water SCHEMBL8630437 1.00 ALDH1A1 (0.32) ALDH1A1TDP1
Water SCHEMBL5956965 1.00 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL6998232 0.98 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL11373390 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL11285906 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
Lithium Ion SCHEMBL28830259 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL7622902 0.82
Lithium Ion SCHEMBL31235405 0.81 LMNA (0.32) ALDH1A1TDP1
SCHEMBL733409 0.77 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL29285237 0.75

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665802-A REACTING POLYAMIC ACID WITH A DEHYDRATION-CYCLIZATION AGENT, A CATALYST AND AN ORGANIC PHOSPHORUS COMPOUND; EXCELLENT IN TENSILE STRENGTH AND FLEXIBILITY KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-09-09 US claimed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US claimed
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUITIS S A (CH) 2016-02-04 US disclosed
EP-1161436-B1 Polyunsaturated fatty acid derivatives and their use in the treatment of cancer ARDENIA INVESTMENTS LTD (GI) 2003-06-25 EP disclosed
US-6403554-B2 Polyunsaturated fatty acid derivatives and their use ARDENIA INVESTMENTS LTD. (GI) 2002-06-11 US disclosed
EP-1161436-A1 POLYUNSATURATED FATTY ACID DERIVATIVES AND THEIR USE Ardenia Investments Ltd. (GI) 2001-12-12 EP disclosed
US-20010037032-A1 Polyunsaturated fatty acid derivatives and their use OASMIA PHARMACEUTICAL AB (SE) 2001-11-01 US disclosed
US-6274747-B1 COMPOUNDS CONTAINING A PHOSPHATE GROUP AND SECONDARY AMIDE GROUP; ANTICANCER AGENTS ARDENIA INVESTMENTS LTD. (GI) 2001-08-14 US disclosed
WO-2000047589-A1 POLYUNSATURATED FATTY ACID DERIVATIVES AND THEIR USE ARDENIA INVESTMENTS LTD. (SE) 2000-08-17 WO disclosed
US-5665802-A REACTING POLYAMIC ACID WITH A DEHYDRATION-CYCLIZATION AGENT, A CATALYST AND AN ORGANIC PHOSPHORUS COMPOUND; EXCELLENT IN TENSILE STRENGTH AND FLEXIBILITY KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-09-09 US disclosed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US disclosed
US-5405839-A Vitamin B12 antagonist; inhibits cell growth; anticancer agents TEIJIN LIMITED (JP) 1995-04-11 US disclosed
EP-0350958-B1 Improved polyimide and polyimide film and manufacturing method thereof KANEGAFUCHI CHEMICAL IND (JP) 1994-12-21 EP disclosed
EP-0425680-A1 NEW VITAMIN B 12? DERIVATIVE, PRODUCTION THEREOF, AND APPLICATION THEREOF TEIJIN LIMITED (JP) 1991-05-08 EP disclosed
EP-0350958-A2 Improved polyimide and polyimide film and manufacturing method thereof KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-17 EP disclosed
EP-0134157-B1 LAYERED VANADIUM COMPOUNDS CONTAINING PHOSPHORUS OR ARSENIC AND PENDANT ORGANIC GROUPS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-09-27 EP disclosed
US-4518534-A Layered vanadium compounds containing phosphorus or arsenic and pendant organic groups EXXON RESEARCH & ENGINEERING CO. (US) 1985-05-21 US disclosed
EP-0134157-A2 Layered vanadium compounds containing phosphorus or arsenic and pendant organic groups EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-03-13 EP disclosed
US-4276409-A USED FOR CHELATING METALLIC IONS OCCIDENTAL RESEARCH CORPORATION (US) 1981-06-30 US disclosed
US-4276411-A SUPPORTS FOR CHROMATOGRAPHY, MOLECULAR SIEVES, ION EXCHANGERS OCCIDENTAL RESEARCH CORPORATION (US) 1981-06-30 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-20010037032-A1 Polyunsaturated fatty acid derivatives and their use RXRA, RXRB, LPAR2 ALDH1A1 650/4885TDP1 1383/4885
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP ALDH1A1 2945/4885TDP1 2370/4885

“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.