SCHEMBL3976360

SCHEMBL3976360

CN(C)CCCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 19/20 0.57
GGPS1 O95749 8/20 0.57
PDE3A Q14432 3/20 0.55
AGTR1 P30556 1/20 0.55
OPRM1 P35372 1/20 0.55
LMNA P02545 1/20 0.46
ADRB3 P13945 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL9333595 0.94 FDPS (0.61) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL16091938 0.92 FDPS (0.62) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL9333367 0.92 FDPS (0.62) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL11952578 0.90 FDPS (0.47) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL10602953 0.87 FDPS (0.47) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL138988 0.86 FDPS (0.58) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL232124 0.84 FDPS (0.56) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL7457593 0.83 FDPS (0.71) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL18330273 0.82 FDPS (0.47) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8055487 0.82 FDPS (0.44) FDPSGGPS1PDE3AAGTR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622567-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-07-24 EP claimed
US-20060241107-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME LLC 2006-10-26 US claimed
US-7011847-B2 Enteric coated formulation for bisphosphonic acids and salts thereof U & I PHARMACEUTICALS LTD. (US) 2006-03-14 US claimed
EP-1251857-B1 PHARMACEUTICAL PARENTERAL COMPOSITION CONTAINING A BISPHOSPHONATE HOFFMANN LA ROCHE (CH) 2006-02-22 EP claimed
EP-1566177-A1 The use of bisphosphonates for treating skin by stimulating of collagen synthesis Tigen Biotech Co., Ltd. (KR) 2005-08-24 EP claimed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US claimed
US-20040161460-A1 Enteric coated formulation for bisphosphonic acids and salts thereof U & I PHARMACEUTICALS LTD. (US) 2004-08-19 US claimed
US-20040137056-A1 Wet granulation formulation for bisphosphonic acids KATDARE ASHOK V (US) 2004-07-15 US claimed
US-6692764-B2 TREATMENT AND PREVENTION OF DISEASES INVOLVING BONE RESORPTION, ESPECIALLY OSTEOPOROSIS, PAGET'S DISEASE, MALIGNANT HYPERCALCEMIA, AND METASTATIC BONE DISEASE; BINDER-FREE TABLETS MERCK & CO., INC. 2004-02-17 US claimed
US-6677320-B2 MIXTURE WITH CHELATE COMPOUND; BONE DISORDERS HOFFMANN-LA ROCHES INC. 2004-01-13 US claimed
WO-1995029679-A1 WET GRANULATION FORMULATION FOR BISPHOSPHONIC ACIDS MERCK & CO., INC. (US) 1995-11-09 WO claimed
US-5358941-A Treatment of bone disorders, osteoporosis MERCK & CO., INC. (US) 1994-10-25 US claimed
WO-1994012200-A1 DRY MIX FORMULATION FOR BISPHOSPHONIC ACIDS MERCK & CO., INC. (US) 1994-06-09 WO claimed
EP-0401243-A1 MEDICINAL PREPARATIONS CHARACTERIZED BY A COMBINATION OF CYTOSTATIC AGENTS, HORMONAL THERAPEUTIC AGENTS AND PHOSPHONE DERIVATIVES. HENKEL KGAA (DE) 1990-12-12 EP claimed
WO-1989007453-A1 MEDICINAL PREPARATIONS CHARACTERIZED BY A COMBINATION OF CYTOSTATIC AGENTS, HORMONAL THERAPEUTIC AGENTS AND PHOSPHONE DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-24 WO claimed
EP-0175315-B1 4-DIMETHYLAMINO-1-HYDROXYBUTANE-1,1-DIPHOSPHONIC ACID, ITS WATER SOLUBLE SALTS, PROCESS FOR THEIR PREPARATION AND ITS USE Henkel Kommanditgesellschaft auf Aktien (DE) 1989-01-11 EP claimed
EP-0276288-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A BISPHOSPHONATE AND THEIR USE FOR NASAL ADMINISTRATION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1988-08-03 EP claimed
WO-1988000829-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A BISPHOSPHONATE AND THEIR USE FOR NASAL ADMINISTRATION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMIS (DK) 1988-02-11 WO claimed
US-4624947-A CALCIUM BINDING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-11-25 US claimed
EP-0175315-A2 4-Dimethylamino-1-hydroxybutane-1,1-diphosphonic acid, its water soluble salts, process for their preparation and its use Henkel Kommanditgesellschaft auf Aktien (DE) 1986-03-26 EP 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 (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-20060241107-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR FDPS 2372/4885GGPS1 577/4885PDE3A 1170/4885
US-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR FDPS 2793/4885GGPS1 797/4885PDE3A 1024/4885

“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.