SCHEMBL2692050

SCHEMBL2692050

Cc1ncc(C(C)OP(=O)(O)O)c(C=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX2 Q9UBL9 3/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ ACP1 P24666 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ P2RX1 P51575 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ AOX1 Q06278 1/20 0.47
▸ TRIM24 O15164 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ ERN1 O75460 1/20 0.39
▸ PNPO Q9NVS9 1/20 0.36
▸ PDXK O00764 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ YWHAG P61981 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
SCHEMBL3800949 0.84 P2RX2 (0.54) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL3392576 0.80 P2RX2 (0.53) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL4576456 0.78 ESR1 (0.52) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL17224491 0.77 KDM4E (0.56) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL8835556 0.76 KDM4E (0.59) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL6045299 0.72 KDM4E (0.54) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL2467030 0.72 KDM4E (0.54) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL9717089 0.72 ESR1 (0.44) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxal Phosphate Anhydrous SCHEMBL23158 0.71 P2RX2 (1.00) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxal Phosphate Anhydrous SCHEMBL29362986 0.71 P2RX2 (1.00) P2RX2ESR1PTGS1ACP1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202802-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION EXELTIS USA, INC. 2017-07-20 — — US claimed
US-20170112178-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION Chemo S.A. France (FR) 2017-04-27 — — US claimed
US-20130011377-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION Chemo S.A. France (FR) 2013-01-10 — — US claimed
US-20210128459-A1 GUMMY COMPOSITIONS FOR NUTRITIONAL SUPPLEMENTATION EXELTIS USA, INC. (US) 2021-05-06 — — US disclosed
US-10905650-B2 Gummy compositions for nutritional supplementation EXELTIS USA, INC. (US) 2021-02-02 — — US disclosed
US-20190021385-A1 ORALLY DISSOLVABLE COMPOSITIONS FOR NUTRITION SUPPLEMENTATION EXELTIS USA, INC. 2019-01-24 — — US disclosed
US-20170202802-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION EXELTIS USA, INC. 2017-07-20 — — US disclosed
US-20170157042-A1 GUMMY COMPOSITIONS FOR NUTRITIONAL SUPPLEMENTATION EXELTIS USA, INC. (US) 2017-06-08 — — US disclosed
US-20170112178-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION Chemo S.A. France (FR) 2017-04-27 — — US disclosed
WO-2015167434-A1 COMPOSITIONS FOR NUTRITIONAL SUPPLEMENTATION FERNANDEZ EDUARDO (US) 2015-11-05 — — WO disclosed
US-20150306029-A1 GUMMY COMPOSITIONS FOR NUTRITIONAL SUPPLEMENTATION EXELTIS USA, INC. 2015-10-29 — — US disclosed
US-20140271982-A1 GUMMY COMPOSITIONS FOR NUTRITIONAL SUPPLEMENTATION EXELTIS USA, INC. 2014-09-18 — — US disclosed
US-20140023751-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION Chemo S.A. France (FR) 2014-01-23 — — US disclosed
US-8545896-B2 Compositions, kits and methods for nutrition supplementation Chemo S. A. France (FR) 2013-10-01 — — US disclosed
WO-2013049519-A2 COMPOSITIONS, KITS AND METHODS FOR NUTRITIONAL SUPPLEMENTATION WITH TWELVE CARBON CHAIN FATTY ACIDS AND TWELVE CARBON CHAIN ACYLGLYCEROLS Chemo S.A. France (FR) 2013-04-04 — — WO disclosed
US-20130084272-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITIONAL SUPPLEMENTATION WITH TWELVE CARBON CHAIN FATTY ACIDS AND TWELVE CARBON CHAIN ACYLGLYCEROLS Chemo S.A. France (FR) 2013-04-04 — — US disclosed
US-20130084344-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION Chemo S.A. France (FR) 2013-04-04 — — US disclosed
US-20130011377-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION Chemo S.A. France (FR) 2013-01-10 — — US disclosed
US-8183227-B1 Compositions, kits and methods for nutrition supplementation Chemo S. A. France (FR) 2012-05-22 — — US disclosed
US-8168611-B1 Compositions, kits and methods for nutrition supplementation Chemo S.A. France (FR) 2012-05-01 — — 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-20130084344-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION FADS1, FADS2, VDR P2RX2 2978/4885ESR1 2721/4885PTGS1 1079/4885
US-20130084272-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITIONAL SUPPLEMENTATION WITH TWELVE CARBON CHAIN FATTY ACIDS AND TWELVE CARBON CHAIN ACYLGLYCEROLS ACSL5, FADS1, ACSL6 P2RX2 4160/4885ESR1 3550/4885PTGS1 1835/4885

“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.

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