SCHEMBL6370947

SCHEMBL6370947

CC(C)(C)c1cc(CC(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.66
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 8/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 3/20 0.47
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
TP53 P04637 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
SCHEMBL8154654 0.94 HMGCR (0.59) HMGCRMEN1KMT2AGAAALDH1A1
SCHEMBL7526269 0.91 HMGCR (0.56) HMGCRMEN1KMT2AGAAALDH1A1
SCHEMBL2187676 0.85 HMGCR (0.60) HMGCRMEN1KMT2AGAAALDH1A1
Calcium SCHEMBL2278710 0.83 HMGCR (0.58) HMGCRMEN1KMT2AGAAALDH1A1
SCHEMBL7084466 0.82 HMGCR (0.74) HMGCRMEN1KMT2AGAAALDH1A1
SCHEMBL9373479 0.81 HMGCR (0.52) HMGCRMEN1KMT2AGAAALDH1A1
SCHEMBL78134 0.80 MEN1 (0.61) HMGCRMEN1KMT2AGAAALDH1A1
SCHEMBL1704691 0.80 HMGCR (1.00) HMGCRMEN1KMT2AGAAALDH1A1
Apomine SCHEMBL1648488 0.80 HMGCR (1.00) HMGCR
Calcium SCHEMBL912231 0.79 MEN1 (0.59) HMGCRMEN1KMT2AGAAALDH1A1

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
EP-0888365-B1 A process for the preparation of diphosphonate derivatives SYMPHAR SA (CH) 2002-05-08 EP claimed
EP-0845991-B1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR SA (CH) 2002-02-06 EP claimed
US-6127350-A FOR TREATMENT AND PREVENTION OF RAS ONCOGENE DEPENDENT CANCERS AND METASTATIC INVASIONS SYMPHAR S.A. (SE) 2000-10-03 US claimed
EP-0339237-B1 PHENOL SUBSTITUTED GEM-DIPHOSPHONATE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1992-12-30 EP claimed
US-5128331-A Gen-diphosphonates SYMPHAR S.A. (CH) 1992-07-07 US claimed
US-5043330-A Antiinflammatory and hypotensive agents; antihyperlipemia SYMPHAR S.A. (CH) 1991-08-27 US claimed
WO-2011163389-A2 METHOD FOR INDUCING FAT LOSS IN MAMMALS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-12-29 WO disclosed
US-20050124586-A1 Alpha-substituted arylalkyl phosphonate derivatives ILEX PRODUCTS, INC. 2005-06-09 US disclosed
EP-1326618-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES Ilex Oncology Research S.A. (CH) 2003-07-16 EP disclosed
EP-0888365-B1 A process for the preparation of diphosphonate derivatives SYMPHAR SA (CH) 2002-05-08 EP disclosed
WO-2002011704-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES SYMPHAR S.A. (CH) 2002-02-14 WO disclosed
EP-0845991-B1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR SA (CH) 2002-02-06 EP disclosed
US-6127350-A FOR TREATMENT AND PREVENTION OF RAS ONCOGENE DEPENDENT CANCERS AND METASTATIC INVASIONS SYMPHAR S.A. (SE) 2000-10-03 US disclosed
US-6048995-A Process for the preparation of diphosphonate derivatives SYMPHAR S.A. (CH) 2000-04-11 US disclosed
EP-0888365-A1 A PROCESS FOR THE PREPARATION OF DIPHOSPHONATE DERIVATIVES SYMPHAR S.A. (CH) 1999-01-07 EP disclosed
WO-1997031004-A1 A PROCESS FOR THE PREPARATION OF DIPHOSPHONATE DERIVATIVES SYMPHAR S.A. (CH) 1997-08-28 WO disclosed
US-5153183-A Antiarthritic agents TORAY INDUSTRIES, INC. (JP) 1992-10-06 US disclosed
US-5128331-A Gen-diphosphonates SYMPHAR S.A. (CH) 1992-07-07 US disclosed
US-5043330-A Antiinflammatory and hypotensive agents; antihyperlipemia SYMPHAR S.A. (CH) 1991-08-27 US disclosed
EP-0440809-A1 METHYLENEDIPHOSPHONIC ACID COMPOUND AND ANTI-INFLAMMATORY CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 1991-08-14 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 (1 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-20050124586-A1 Alpha-substituted arylalkyl phosphonate derivatives APOB, APOL1, LDLR HMGCR 117/4885MEN1 4414/4885KMT2A 2698/4885

“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.