SCHEMBL7216239

SCHEMBL7216239

N#CCCOP(=O)(O)O.[BaH2]

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
TPI1 P60174 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
Water SCHEMBL11512537 1.00 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL22652 0.98
Water SCHEMBL6908198 0.98 LPAR3 (0.41) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL28830258 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL6653137 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL6998234 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
Alcohol SCHEMBL2352329 0.89 LPAR3 (0.45) LPAR3LPAR2LPAR1
SCHEMBL8445541 0.87 LPAR3 (0.35) LPAR3LPAR2LPAR1
SCHEMBL7912997 0.86 LPAR3 (0.39) LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL497349 0.83 P2RY14 (0.34) ALDH1A1TDP1

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 15 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

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 LPAR3 24/4885LPAR2 3/4885LPAR1 16/4885
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP LPAR3 1560/4885LPAR2 2011/4885LPAR1 1802/4885

“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.