SCHEMBL7080302

SCHEMBL7080302

CC(C)OP(=O)(OC(C)C)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 1.00
NR1I2 O75469 1/20 0.66
MEN1 O00255 3/20 0.45
CYP3A4 P08684 3/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 3/20 0.45
BLM P54132 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
RGS12 O14924 2/20 0.45
GMNN O75496 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
NFKB1 P19838 2/20 0.45

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
SCHEMBL7129381 0.92 HMGCR (0.85) HMGCRNR1I2MEN1CYP3A4MAPT
SCHEMBL7137096 0.91 HMGCR (0.83) HMGCRNR1I2MEN1CYP3A4MAPT
SCHEMBL7139090 0.83 HMGCR (0.71) HMGCRNR1I2CYP1A2CYP2C9GABBR2
SCHEMBL7141651 0.83 HMGCR (0.71) HMGCRNR1I2MEN1CYP3A4MAPT
SCHEMBL678403 0.79 HMGCR (1.00) HMGCRNR1I2MEN1CYP3A4MAPT
SCHEMBL7134489 0.79 HMGCR (0.65) HMGCRNR1I2CYP3A4CYP1A2LMNA
SCHEMBL7132005 0.78 HMGCR (0.63) HMGCRNR1I2MEN1CYP3A4MAPT
SCHEMBL14206895 0.78 HMGCR (0.63) HMGCRNR1I2MEN1CYP3A4MAPT
SCHEMBL7083575 0.78 HMGCR (0.63) HMGCRNR1I2MEN1MAPTKMT2A
SCHEMBL7079812 0.78 HMGCR (0.63) HMGCRNR1I2MEN1CYP3A4MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2002011704-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES SYMPHAR S.A. (CH) 2002-02-14 WO claimed
EP-0845991-B1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR SA (CH) 2002-02-06 EP 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-8529877-B2 Benzylidene compounds comprising phosphono-groups BASF SE (DE) 2013-09-10 US disclosed
US-8529877-B2 Benzylidene compounds comprising phosphono-groups BASF SE (DE) 2013-09-10 US disclosed
US-20110212039-A1 BENZYLIDENE COMPOUNDS COMPRISING PHOSPHONO-GROUPS BASF SE (DE) 2011-09-01 US disclosed
US-20110212039-A1 BENZYLIDENE COMPOUNDS COMPRISING PHOSPHONO-GROUPS BASF SE (DE) 2011-09-01 US disclosed
WO-2010054966-A2 BENZYLIDENE COMPOUNDS COMPRISING PHOSPHONO-GROUPS BASF SE (DE) 2010-05-20 WO 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-20110212039-A1 BENZYLIDENE COMPOUNDS COMPRISING PHOSPHONO-GROUPS NR1H2, ESRRA, NR1H3 HMGCR 1411/4885NR1I2 67/4885MEN1 2681/4885

“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.