SCHEMBL2016957

SCHEMBL2016957

Cc1ccc(O)c([Si](C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
TP53 P04637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX12 P18054 1/20 0.46
CSNK2A1 P68400 1/20 0.43
AMY1A P0DUB6 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL28092389 0.78 ALDH1A1 (0.43) TDP1ALOX15HSD17B10ALDH1A1LMNA
SCHEMBL13318430 0.76 ESR1 (0.36) TRPA1TP53TDP1ACHE
SCHEMBL9463221 0.75 TDP1 (0.44) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL9081266 0.74 PDE10A (0.52) TP53TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL25356062 0.74 ALOX15 (0.50) ALOX15ALDH1A1LMNAMAPTMEN1
SCHEMBL6278827 0.73 SELL (0.32) ALOX15ALDH1A1MAPTGAAKDM4E
SCHEMBL28806509 0.71 CYP1A2 (0.36) TRPA1TP53TDP1ALOX15ALDH1A1
SCHEMBL12879287 0.71 LMNA (0.39) TRPA1TP53TDP1ALOX15ALDH1A1
SCHEMBL29406334 0.71
SCHEMBL12388 0.71

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
EP-1760078-A1 Substituted pyrazoline compounds; methods for their preparation LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-07 EP claimed
WO-2007009710-A2 SUBSTITUTED PYRAZOLINE COMPOUNDS: METHODS FOR THEIR PREPARATION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO claimed
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-30 US disclosed
US-7897589-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-01 US disclosed
US-7829581-B2 Prodrugs of pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 US disclosed
US-7737291-B2 2,4,6,8-tetramethylcyclotetrasiloxane and stabilizer used as a material for thin film formation by chemical vapor deposition, or atomic layer deposition ADEKA CORPORATION (JP) 2010-06-15 US disclosed
US-20080300278-A1 Prodrugs of Pyrazoline Compounds, Their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-04 US disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1917247-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-07 EP disclosed
EP-1760078-A1 Substituted pyrazoline compounds; methods for their preparation LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-07 EP disclosed
WO-2007009687-A1 CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007009689-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007009688-A1 THIOCARBONYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 US disclosed
EP-1743888-A1 Carbonyl substituted pyrazoline compounds, their preparation and use as CB1 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1743894-A1 Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1743887-A1 Thiocarbonyl-substituted pyrazoline compounds, their preparation and use as CB1 modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1743890-A1 4,5-Dihydro-1H-pyrazole derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 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 (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-20080300278-A1 Prodrugs of Pyrazoline Compounds, Their Preparation and Use as Medicaments CYP3A5, CYP2C19, CYP3A7 TRPA1 1512/4885TP53 1269/4885TDP1 534/4885
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments PIR, SYMPK, P2RX5 TRPA1 889/4885TP53 1059/4885TDP1 998/4885
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIR, SYMPK, P2RX5 TRPA1 889/4885TP53 1059/4885TDP1 998/4885

“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.