SCHEMBL136428

SCHEMBL136428

O=P(O)(O)C(O)(CCN1CCCC1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
FDPS P14324 15/20 0.45
PDE3A Q14432 2/20 0.45
LMNA P02545 2/20 0.45
ADRB3 P13945 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPT P10636 1/20 0.43
GGPS1 O95749 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL9298865 0.98 CA12 (0.49) CA12CA1CA2CA9FDPS
SCHEMBL3225341 0.98 CA12 (0.46) CA12CA1CA2CA9FDPS
SCHEMBL6222263 0.98 CA12 (0.49) CA12CA1CA2CA9FDPS
SCHEMBL9615006 0.96 FDPS (0.45) CA12CA1CA2CA9FDPS
SCHEMBL18161694 0.88 FDPS (0.40) CA12CA1CA2CA9FDPS
SCHEMBL18161709 0.88 FDPS (0.40) CA12CA1CA2CA9FDPS
SCHEMBL3067217 0.87 CA12 (0.41) CA12CA1CA2CA9FDPS
SCHEMBL9082973 0.86 FDPS (0.47) CA12CA1CA2CA9FDPS
SCHEMBL18161706 0.85 FDPS (0.44) CA12CA1CA2CA9FDPS
SCHEMBL18161689 0.85 FDPS (0.44) CA12CA1CA2CA9FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140356423-A1 FORMULATIONS OF LYCOPENE IN COMBINATION WITH BISPHOSPHONATES BONE RESORPTION INHIBITORS ANGRES ISAAC A (US) 2014-12-04 US claimed
US-20100055159-A1 PERCUTANEOUS PREPARATIONS TSUJI YASUHIRO 2010-03-04 US claimed
EP-1434786-A4 ANDROSTANE 17-BETA-CARBOXAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2009-03-25 EP claimed
US-20080207565-A1 USE OF BISPHOSPHONATES FOR PAIN TREATMENT NOVARTIS PHARMACEUTICALS CORPORATION 2008-08-28 US claimed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
EP-1689744-A1 ANTIRESORPTIVE MUTUAL SALT OF RALOXIFENE AND BISPHOSPHONIC ACID Hanmi Pharm. Co., Ltd. (KR) 2006-08-16 EP claimed
US-7090496-B2 Endosseous implant UNIVERSITE DE GENEVE (CH) 2006-08-15 US claimed
US-20060166937-A1 Bisphosphonates for the treatment of atherosclerosis and device comprising them PRESCOTT MARGARET F 2006-07-27 US claimed
EP-1351722-B1 ENDOSSEOUS IMPLANT UNIV GENEVE (CH) 2006-07-05 EP claimed
EP-0573604-B1 METHODS FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1995-03-15 EP claimed
US-5366965-A Administering polyphosphonate BOEHRINGER MANNHEIM GMBH (DE) 1994-11-22 US claimed
EP-0600834-A1 Use of methanebisphosphonic acid derivatives for the manufacture of a medicament for fracture healing CIBA-GEIGY AG (CH) 1994-06-08 EP claimed
EP-0550385-A1 Oral pharmaceutical compositions containing derivatives of methane-diphosphonic acid and 18-crown-6 ethers CIBA-GEIGY AG (CH) 1993-07-07 EP claimed
EP-0409881-B1 N-HETEROCYCLIC PROPYLIDENE-1,1-BISPHOSPHONIC ACIDS, THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1993-02-10 EP claimed
US-5133972-A TOPICALLY ADMINISTRABLE PHARMACEUTICAL PREPARATIONS CIBA-GEIGY CORPORATION (US) 1992-07-28 US claimed
US-5130304-A Drugs for calcium metabolism for treatment of osteoporosis or arthritis LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-07-14 US claimed
EP-0409881-A1 N-HETEROCYCLIC PROPYLIDENE-1,1-BISPHOSPHONIC ACIDS, THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1991-01-30 EP claimed
EP-0407344-A2 Pharmaceutical preparation for topical application CIBA-GEIGY AG (CH) 1991-01-09 EP claimed
WO-1989009775-A1 N-HETEROCYCLIC PROPYLIDENE-1,1-BISPHOSPHONIC ACIDS, THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMIS (DK) 1989-10-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080207565-A1 USE OF BISPHOSPHONATES FOR PAIN TREATMENT SOST, OPRL1, BPGM CA12 1036/4885CA1 374/4885CA2 495/4885
US-20060166937-A1 Bisphosphonates for the treatment of atherosclerosis and device comprising them SOST, PTH1R, CASR CA12 371/4885CA1 174/4885CA2 261/4885
US-20100055159-A1 PERCUTANEOUS PREPARATIONS FFAR1, FFAR2, PPARD CA12 2137/4885CA1 3883/4885CA2 3211/4885

“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.